data_2mrn_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mrn _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -85.41 142.56 29.18 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.46 ' OG ' HG22 ' B' ' 33' ' ' VAL . 82.2 p -141.38 -158.83 0.9 Allowed 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 20.9 t -161.31 134.06 6.16 Favored 'General case' 0 N--CA 1.413 -2.278 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.89 116.88 29.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -110.24 176.15 5.16 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.588 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -102.09 110.37 22.31 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.215 0.531 . . . . 0.0 111.174 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -97.91 96.46 8.2 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 -118.43 4.71 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -174.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -114.94 26.23 10.31 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 116.989 0.394 . . . . 0.0 110.354 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.6 m -131.46 141.55 42.15 Favored Pre-proline 0 N--CA 1.418 -2.071 0 O-C-N 121.94 -0.475 . . . . 0.0 110.561 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -68.5 121.04 7.95 Favored 'Trans proline' 0 C--N 1.322 -0.849 0 C-N-CA 123.251 2.634 . . . . 0.0 112.271 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.22 135.91 39.47 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -112.43 153.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 119.64 30.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.62 129.36 53.16 Favored Pre-proline 0 C--N 1.302 -1.478 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.53 122.6 11.93 Favored 'Trans proline' 0 C--O 1.248 1.011 0 C-N-CA 122.308 2.005 . . . . 0.0 111.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.478 0.711 . . . . 0.0 110.612 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -60.45 -39.29 87.02 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.418 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.39 -30.81 33.52 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 121.988 -0.445 . . . . 0.0 110.972 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.9 mmm -52.75 -50.71 62.94 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.241 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -64.45 -37.61 88.13 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.058 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.83 -34.66 75.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.056 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -101.23 -3.32 29.22 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.782 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.6 57.13 0.88 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.119 1.367 . . . . 0.0 113.351 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.83 158.72 37.92 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -177.35 4.21 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.862 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.9 mm -63.95 142.02 17.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.439 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 76.31 12.06 2.73 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.617 1.567 . . . . 0.0 110.609 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.546 ' O ' ' HA ' ' B' ' 5' ' ' SER . 5.5 t0 -85.07 164.98 17.88 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.2 tt0 -111.41 130.84 55.57 Favored 'General case' 0 C--N 1.261 -3.261 0 C-N-CA 123.619 0.767 . . . . 0.0 109.555 -175.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.498 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.8 m -121.82 157.91 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.177 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.152 177.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -108.42 116.36 31.82 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.037 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CG2' HD21 ' A' ' 42' ' ' LEU . 4.0 mp -95.92 118.32 41.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.71 130.87 56.6 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.987 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -90.3 124.62 35.05 Favored 'General case' 0 N--CA 1.382 -3.873 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -139.48 108.26 3.43 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.985 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.361 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 61.46 31.89 18.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.685 0.794 . . . . 0.0 112.322 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.39 17.41 76.13 Favored Glycine 0 C--N 1.308 -1.019 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.194 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -119.58 144.28 47.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.459 HD21 ' CG2' ' A' ' 35' ' ' ILE . 64.0 mt -94.74 118.33 31.56 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-O 122.061 0.934 . . . . 0.0 109.531 174.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.3 mm -105.43 123.18 59.58 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.122 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.105 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -100.72 114.26 39.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.859 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -118.11 137.51 24.6 Favored Pre-proline 0 C--N 1.296 -1.718 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.17 165.06 9.85 Favored 'Trans proline' 0 N--CA 1.401 -3.916 0 CA-C-N 120.499 1.214 . . . . 0.0 109.318 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.263 -3.163 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -178.671 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--O 1.222 -0.371 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.08 137.6 32.23 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.498 ' OG ' HG22 ' A' ' 33' ' ' VAL . 76.3 p -132.33 -153.97 0.59 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.241 -173.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 17.1 t -166.35 132.8 2.5 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.63 113.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -106.48 176.62 5.11 Favored 'General case' 0 C--N 1.275 -2.667 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.573 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -101.94 113.76 27.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 120.845 0.355 . . . . 0.0 111.167 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -103.68 98.6 8.44 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.9 -119.55 5.26 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 107.325 -2.31 . . . . 0.0 107.325 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -114.98 28.57 8.63 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 117.175 0.488 . . . . 0.0 110.132 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -132.16 140.29 37.59 Favored Pre-proline 0 N--CA 1.418 -2.062 0 O-C-N 121.797 -0.564 . . . . 0.0 110.53 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -68.09 120.97 7.94 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.83 134.36 38.8 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -112.06 152.61 13.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.982 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 123.25 33.23 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -88.2 129.76 48.58 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.41 123.69 14.17 Favored 'Trans proline' 0 C--O 1.25 1.084 0 C-N-CA 122.254 1.969 . . . . 0.0 111.578 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -25.24 67.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.665 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -61.62 -39.23 90.54 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.953 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.84 -32.22 31.27 Favored 'General case' 0 CA--C 1.478 -1.807 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 89.8 mmm -51.7 -52.2 50.11 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.481 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -63.73 -37.02 85.79 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.571 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.78 74.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.297 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -101.54 0.95 37.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 67.82 36.96 3.31 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.39 160.02 16.52 Favored 'General case' 0 N--CA 1.418 -2.055 0 O-C-N 122.004 -0.435 . . . . 0.0 110.495 174.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -176.37 4.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 123.418 0.687 . . . . 0.0 111.494 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.1 mm -65.45 141.67 17.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 t70 74.75 12.0 3.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.205 1.802 . . . . 0.0 110.711 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.0 t0 -83.36 166.75 18.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 4' ' ' SER . 31.8 tt0 -113.5 129.68 56.5 Favored 'General case' 0 C--N 1.255 -3.525 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -174.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.46 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.1 m -122.84 153.51 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.926 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.536 ' HG2' ' OD1' ' B' ' 36' ' ' ASP . 24.5 ttpp -106.27 117.65 34.59 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.321 0.582 . . . . 0.0 109.757 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' B' ' 42' ' ' LEU . 4.0 mp -95.4 114.31 31.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.536 ' OD1' ' HG2' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -113.53 129.53 56.54 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.176 -178.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -91.81 125.23 36.44 Favored 'General case' 0 N--CA 1.384 -3.729 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.56 110.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.995 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.493 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.03 29.5 14.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.454 0.702 . . . . 0.0 112.366 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.14 20.96 74.69 Favored Glycine 0 C--N 1.309 -0.921 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -122.98 142.66 50.59 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' B' ' 35' ' ' ILE . 53.4 mt -92.32 118.07 30.53 Favored 'General case' 0 CA--C 1.483 -1.62 0 CA-C-O 121.886 0.85 . . . . 0.0 109.834 175.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.04 123.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.058 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.248 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -99.93 114.55 38.7 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.937 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -118.12 137.17 24.27 Favored Pre-proline 0 C--N 1.293 -1.873 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -87.11 162.07 8.64 Favored 'Trans proline' 1 N--CA 1.397 -4.18 0 CA-C-N 120.697 1.285 . . . . 0.0 109.435 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.266 -3.053 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.202 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 N--CA 1.43 -1.434 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -71.62 133.82 45.96 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.02 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.9 m -149.64 -168.23 3.05 Favored 'General case' 0 C--N 1.279 -2.479 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.485 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.421 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 67.7 m -150.59 160.47 43.78 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 118.1 0.409 . . . . 0.0 110.652 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.83 130.46 47.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 5' ' ' SER . 0.6 OUTLIER -127.48 172.52 10.62 Favored 'General case' 0 C--N 1.274 -2.68 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.081 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -107.6 120.86 43.4 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.758 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -102.3 94.82 5.91 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.07 -131.14 13.35 Favored Glycine 0 N--CA 1.427 -1.908 0 N-CA-C 107.571 -2.212 . . . . 0.0 107.571 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -93.34 8.64 39.63 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 117.869 0.834 . . . . 0.0 112.553 173.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -113.57 129.45 24.65 Favored Pre-proline 0 N--CA 1.412 -2.36 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -63.2 130.55 29.12 Favored 'Trans proline' 0 C--N 1.301 -1.945 0 C-N-CA 122.569 2.179 . . . . 0.0 110.161 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.31 138.59 45.08 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-O 121.268 0.556 . . . . 0.0 110.724 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -108.02 137.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -82.76 117.23 22.52 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.264 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.18 134.95 20.47 Favored Pre-proline 0 C--N 1.302 -1.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.949 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.33 125.74 17.64 Favored 'Trans proline' 0 C--O 1.251 1.144 0 C-N-CA 122.55 2.167 . . . . 0.0 111.139 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.74 -27.09 66.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.111 0.482 . . . . 0.0 111.328 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -60.49 -33.86 73.21 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.813 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.88 -33.2 34.51 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-O 121.214 0.53 . . . . 0.0 110.855 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 56.4 mmm -53.92 -51.81 62.56 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.292 172.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 89.5 mt-30 -62.02 -34.31 75.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.843 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.51 68.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.443 0.64 . . . . 0.0 111.243 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -98.1 -1.61 41.96 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.347 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 66.5 17.5 10.66 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.979 1.312 . . . . 0.0 113.093 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 pp -98.69 162.83 12.91 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -138.06 175.55 9.48 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 121.302 0.572 . . . . 0.0 111.7 -171.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 140.67 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 t70 81.2 6.59 1.27 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.753 1.621 . . . . 0.0 111.19 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.99 160.61 14.5 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.34 135.58 39.04 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 123.739 0.816 . . . . 0.0 110.548 -171.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.83 157.08 43.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.635 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.511 ' HG3' HG21 ' A' ' 47' ' ' VAL . 22.0 mtpp -93.32 122.71 36.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.474 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.54 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 164.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 9.1 t70 -99.47 135.56 40.7 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.45 123.57 37.94 Favored 'General case' 0 N--CA 1.393 -3.279 0 CA-C-O 121.631 0.729 . . . . 0.0 109.561 -175.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 ' HB ' HG13 ' A' ' 43' ' ' ILE . 40.6 t -141.57 126.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.467 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 59.55 21.6 10.15 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.779 1.232 . . . . 0.0 112.703 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.54 16.52 73.24 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 114.038 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -129.1 166.39 19.39 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 117.91 0.855 . . . . 0.0 110.274 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.83 125.5 33.33 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.933 0.873 . . . . 0.0 109.402 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' HB ' ' A' ' 38' ' ' VAL . 44.0 mm -116.62 139.02 45.3 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.468 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.977 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.6 mt -113.19 111.09 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 CA-C-O 121.92 0.867 . . . . 0.0 109.86 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 33.0 tt0 -132.33 131.48 22.37 Favored Pre-proline 0 C--N 1.277 -2.568 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -81.73 170.3 14.3 Favored 'Trans proline' 0 N--CA 1.417 -3.003 0 CA-C-N 120.161 1.093 . . . . 0.0 112.701 -171.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 34' ' ' LYS . 44.7 t . . . . . 0 C--N 1.281 -2.374 0 N-CA-C 106.263 -1.755 . . . . 0.0 106.263 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -75.28 131.83 40.6 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.401 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.5 m -143.38 -167.65 2.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.692 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.416 ' HB2' ' HE3' ' B' ' 7' ' ' LYS . 68.5 m -151.25 156.89 41.78 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 t -96.1 133.47 37.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 5' ' ' SER . 0.6 OUTLIER -129.65 170.87 13.25 Favored 'General case' 0 C--N 1.279 -2.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 175.276 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -105.92 117.4 33.92 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.616 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -99.01 97.71 8.83 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -126.19 12.73 Favored Glycine 0 N--CA 1.43 -1.726 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -98.49 14.79 27.0 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 29.9 t -121.61 125.37 26.82 Favored Pre-proline 0 N--CA 1.406 -2.642 0 O-C-N 121.693 -0.629 . . . . 0.0 110.335 -174.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -59.84 128.4 26.69 Favored 'Trans proline' 0 C--O 1.246 0.912 0 C-N-CA 122.256 1.971 . . . . 0.0 109.59 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.12 139.13 46.93 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-O 121.134 0.492 . . . . 0.0 110.505 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.69 137.58 39.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.85 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -82.41 118.42 23.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 O-C-N 123.994 0.809 . . . . 0.0 111.261 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.48 134.75 20.07 Favored Pre-proline 0 C--N 1.3 -1.581 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -62.1 125.6 16.8 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 122.229 1.952 . . . . 0.0 110.536 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.87 -28.09 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -58.1 -35.27 71.19 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 124.017 0.927 . . . . 0.0 111.122 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.52 -31.8 47.74 Favored 'General case' 0 CA--C 1.473 -1.991 0 CA-C-O 121.079 0.466 . . . . 0.0 111.16 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.432 ' HE3' ' HB3' ' B' ' 22' ' ' MET . 64.8 mtp -57.84 -48.27 80.27 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.762 174.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.76 -35.74 79.0 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.756 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.4 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.601 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.61 -0.92 51.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 61.26 25.29 15.29 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.115 1.366 . . . . 0.0 112.729 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -105.1 159.22 16.01 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -134.73 176.06 8.98 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 121.149 0.499 . . . . 0.0 111.94 -172.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -66.6 141.18 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.23 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.8 t70 82.91 3.16 1.04 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.46 1.904 . . . . 0.0 111.317 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.96 159.0 15.95 Favored 'General case' 0 N--CA 1.42 -1.933 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.734 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -97.0 134.58 40.18 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 124.282 1.033 . . . . 0.0 110.139 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.21 155.7 42.1 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.174 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.5 ' HG3' HG21 ' B' ' 47' ' ' VAL . 22.5 mtpp -91.65 120.72 32.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.03 95.88 5.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 164.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.07 144.08 28.62 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.41 124.47 48.04 Favored 'General case' 0 N--CA 1.384 -3.746 0 CA-C-O 121.373 0.606 . . . . 0.0 109.371 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.419 ' HB ' HG13 ' B' ' 43' ' ' ILE . 39.7 t -142.93 131.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.163 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 58.88 21.84 9.58 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.85 0.86 . . . . 0.0 112.913 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.46 0.63 88.17 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.84 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -118.7 166.32 12.91 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 117.871 0.835 . . . . 0.0 111.395 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 mt -84.02 125.66 32.3 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 121.775 0.798 . . . . 0.0 109.892 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.419 HG13 ' HB ' ' B' ' 38' ' ' VAL . 43.8 mm -117.88 138.81 47.35 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.266 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.034 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.27 113.68 44.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.822 0.82 . . . . 0.0 109.877 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -134.39 132.51 20.99 Favored Pre-proline 0 C--N 1.278 -2.504 0 N-CA-C 104.276 -2.49 . . . . 0.0 104.276 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -79.79 170.73 16.47 Favored 'Trans proline' 0 N--CA 1.422 -2.704 0 C-N-CA 121.141 1.227 . . . . 0.0 112.37 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.5 HG21 ' HG3' ' B' ' 34' ' ' LYS . 45.3 t . . . . . 0 C--N 1.283 -2.296 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.487 ' HB ' ' O ' ' B' ' 35' ' ' ILE . 60.0 mt . . . . . 0 N--CA 1.424 -1.766 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -112.31 137.0 51.06 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.7 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 m -148.3 -161.3 1.31 Allowed 'General case' 0 C--N 1.277 -2.573 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.724 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -154.56 168.72 25.8 Favored 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.439 HG22 ' CG1' ' A' ' 15' ' ' VAL . 45.6 t -95.66 129.71 45.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -117.45 172.46 7.31 Favored 'General case' 0 C--N 1.284 -2.273 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.915 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -99.01 107.15 19.5 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.075 0.464 . . . . 0.0 110.921 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -92.6 93.39 8.49 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.29 -117.69 5.09 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 108.3 -1.92 . . . . 0.0 108.3 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -112.31 28.06 9.1 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.928 0.364 . . . . 0.0 111.393 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -140.35 132.97 14.68 Favored Pre-proline 0 N--CA 1.419 -1.998 0 O-C-N 121.401 -0.812 . . . . 0.0 109.906 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.461 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 10.4 Cg_endo -62.44 129.72 27.66 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 122.972 2.448 . . . . 0.0 112.3 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -137.38 140.05 41.15 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' CG1' HG22 ' A' ' 6' ' ' VAL . 27.5 m -110.61 145.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -89.4 122.03 32.22 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 123.43 0.456 . . . . 0.0 110.578 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 3.2 mp -91.49 125.23 58.58 Favored Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -59.39 131.75 42.51 Favored 'Trans proline' 0 C--O 1.247 0.94 0 C-N-CA 122.349 2.033 . . . . 0.0 111.739 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.39 -29.62 67.84 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.477 0.711 . . . . 0.0 110.668 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -60.06 -37.6 80.34 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.859 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -82.58 -32.27 28.55 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.847 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.3 mmm -52.73 -51.75 59.18 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.489 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.62 -36.73 84.58 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.461 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.87 76.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.502 0.668 . . . . 0.0 111.569 -174.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -98.3 1.37 47.05 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.244 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 64.74 30.8 12.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.041 1.336 . . . . 0.0 114.278 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.6 161.92 13.28 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.055 0.455 . . . . 0.0 110.453 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -124.67 -179.95 4.72 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.785 177.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.1 mm -66.3 140.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 175.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.38 25.67 4.37 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.757 2.023 . . . . 0.0 110.192 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 6.0 t70 -85.17 134.77 34.15 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.12 133.93 44.29 Favored 'General case' 0 C--N 1.283 -2.304 0 C-N-CA 124.479 1.112 . . . . 0.0 110.179 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.418 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.8 m -133.0 149.09 31.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 121.122 0.487 . . . . 0.0 111.541 -178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -102.86 131.31 49.85 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.193 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.13 117.3 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.23 140.13 52.79 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -94.24 124.73 38.44 Favored 'General case' 1 N--CA 1.379 -4.013 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -178.052 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.405 ' N ' HD11 ' A' ' 37' ' ' LEU . 61.1 t -141.06 109.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.484 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.47 -178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 51.25 61.54 3.18 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.86 0.864 . . . . 0.0 112.243 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.16 -3.01 7.9 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 114.867 -1.06 . . . . 0.0 114.812 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' B' ' 44' ' ' ILE . 43.9 mmtm -97.17 141.69 29.99 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 117.436 0.618 . . . . 0.0 110.791 -176.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -90.98 100.45 13.31 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 166.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.6 mm -83.58 128.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.982 0 CA-C-N 114.181 -1.372 . . . . 0.0 108.498 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -126.92 122.38 60.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.789 0.68 . . . . 0.0 110.175 -171.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -130.39 136.12 28.49 Favored Pre-proline 0 C--N 1.293 -1.863 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -84.32 155.07 12.51 Favored 'Trans proline' 0 N--CA 1.405 -3.677 0 C-N-CA 121.737 1.624 . . . . 0.0 109.581 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 33' ' ' VAL . 3.8 t . . . . . 0 C--N 1.245 -3.962 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt . . . . . 0 N--CA 1.426 -1.641 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -117.93 132.16 56.44 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.635 0.731 . . . . 0.0 110.296 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 74.3 m -138.28 -161.11 1.13 Allowed 'General case' 0 C--N 1.279 -2.492 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.386 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.6 p -155.59 162.86 40.56 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . 0.434 HG22 ' CG1' ' B' ' 15' ' ' VAL . 44.3 t -92.66 134.97 28.92 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -121.59 174.36 6.85 Favored 'General case' 0 C--N 1.279 -2.484 0 C-N-CA 119.36 -0.936 . . . . 0.0 109.508 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -103.29 106.27 16.75 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.279 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.93 93.52 9.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.12 -115.22 4.57 Favored Glycine 0 N--CA 1.426 -2.025 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -114.79 30.5 7.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.318 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 62.7 m -144.59 133.35 11.06 Favored Pre-proline 0 N--CA 1.43 -1.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.48 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.7 Cg_endo -63.78 130.36 27.59 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.036 2.491 . . . . 0.0 111.975 177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.22 142.34 42.06 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.072 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.434 ' CG1' HG22 ' B' ' 6' ' ' VAL . 29.2 m -111.6 146.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -88.1 123.96 33.3 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 123.749 0.656 . . . . 0.0 110.1 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.461 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -94.67 124.03 56.19 Favored Pre-proline 0 C--N 1.304 -1.406 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -59.64 132.15 44.07 Favored 'Trans proline' 0 C--O 1.254 1.279 0 C-N-CA 122.556 2.171 . . . . 0.0 111.653 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.83 66.84 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.968 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -59.01 -40.19 84.16 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.169 0.987 . . . . 0.0 110.33 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.51 -32.19 32.5 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.636 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 88.4 mmm -52.97 -48.78 67.17 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.468 173.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.64 -34.39 75.64 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.576 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -29.52 61.08 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.623 0.725 . . . . 0.0 111.901 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.34 -1.3 31.22 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.231 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 65.52 38.22 5.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.514 1.126 . . . . 0.0 113.196 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.21 158.31 17.95 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-O 121.217 0.532 . . . . 0.0 110.713 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.11 -177.33 3.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.756 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.35 140.76 17.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 71.9 24.65 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.947 2.099 . . . . 0.0 110.24 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -79.96 127.18 31.96 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.22 133.5 48.94 Favored 'General case' 0 C--N 1.287 -2.128 0 O-C-N 124.225 0.953 . . . . 0.0 109.766 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.402 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.9 m -132.98 145.82 33.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-O 120.886 0.374 . . . . 0.0 110.602 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -99.98 132.59 45.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.554 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.487 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -118.05 114.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -123.82 141.04 52.4 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.084 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.411 HD11 ' N ' ' B' ' 38' ' ' VAL . 0.7 OUTLIER -93.44 125.85 38.26 Favored 'General case' 0 N--CA 1.385 -3.69 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -178.107 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.411 ' N ' HD11 ' B' ' 37' ' ' LEU . 47.8 t -142.57 105.11 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.434 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 52.77 62.43 2.69 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.682 1.193 . . . . 0.0 112.213 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 2.25 43.78 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 114.557 -1.201 . . . . 0.0 114.729 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -104.46 143.52 32.9 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 117.471 0.636 . . . . 0.0 110.993 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.9 mt -92.92 99.64 12.25 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.48 127.17 39.99 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.055 0 CA-C-N 114.028 -1.442 . . . . 0.0 108.44 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.1 mm -125.07 122.49 63.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.241 -172.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.59 136.88 29.64 Favored Pre-proline 0 C--N 1.286 -2.159 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -80.54 170.32 15.98 Favored 'Trans proline' 0 N--CA 1.409 -3.476 0 C-N-CA 121.541 1.494 . . . . 0.0 109.059 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' B' ' 33' ' ' VAL . 4.1 t . . . . . 0 C--N 1.261 -3.255 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.419 ' HB2' ' CG ' ' B' ' 32' ' ' GLU . 1.7 p-80 -81.7 143.86 31.56 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.536 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.513 ' OG ' HG22 ' B' ' 33' ' ' VAL . 76.8 p -138.44 -152.0 0.41 Allowed 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.155 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 18.4 p -159.0 134.57 8.62 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.37 105.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 173.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HZ3' ' CG ' ' B' ' 30' ' ' ASP . 72.4 mmtt -104.77 167.23 9.85 Favored 'General case' 0 C--N 1.278 -2.505 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -102.74 118.67 37.35 Favored 'General case' 0 C--N 1.296 -1.761 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.702 -174.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -107.14 97.65 7.39 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.76 -129.61 13.66 Favored Glycine 0 N--CA 1.428 -1.851 0 N-CA-C 107.287 -2.325 . . . . 0.0 107.287 -173.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.64 27.26 8.14 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 117.355 0.578 . . . . 0.0 110.6 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -127.43 121.88 22.59 Favored Pre-proline 0 N--CA 1.425 -1.691 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -61.27 129.7 29.38 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.289 1.992 . . . . 0.0 110.478 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.95 138.96 52.83 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-O 121.073 0.463 . . . . 0.0 111.41 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.38 125.99 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.121 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -77.48 123.04 26.04 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.632 0.582 . . . . 0.0 111.189 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.55 131.87 24.11 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.16 134.39 36.45 Favored 'Trans proline' 0 C--O 1.249 1.072 0 C-N-CA 121.638 1.558 . . . . 0.0 110.272 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.09 -28.69 64.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.063 0.545 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.2 m -62.5 -38.78 91.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.345 0.658 . . . . 0.0 110.344 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -34.85 61.28 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-O 121.211 0.529 . . . . 0.0 111.093 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.7 mmm -54.69 -49.79 69.84 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.312 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.89 -37.98 89.42 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.539 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.6 87.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.464 0.649 . . . . 0.0 112.112 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.415 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 60.8 mt -93.85 -16.06 24.45 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.026 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 t30 67.14 69.65 0.39 Allowed 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.241 1.416 . . . . 0.0 111.749 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -133.66 159.99 38.85 Favored 'General case' 0 N--CA 1.4 -2.975 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 173.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -133.82 -176.97 4.35 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.9 mm -64.88 144.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 81.77 15.87 0.49 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.296 1.438 . . . . 0.0 112.516 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' B' ' 5' ' ' SER . 11.0 t70 -78.44 123.52 27.12 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.601 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 22.9 tt0 -86.7 104.31 15.97 Favored 'General case' 0 C--N 1.278 -2.534 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.569 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.4 m -100.73 161.57 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.175 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.207 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -100.03 127.02 46.3 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.096 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.14 108.01 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 169.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 34.8 t70 -122.13 131.46 53.97 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -98.26 125.13 43.22 Favored 'General case' 0 N--CA 1.387 -3.605 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.281 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.4 t -147.53 134.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.25 21.9 12.32 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.992 0.917 . . . . 0.0 112.469 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.29 23.35 77.43 Favored Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.894 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 51.8 pttt -129.85 158.76 38.58 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.8 mt -88.45 118.83 28.35 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 41.0 mm -97.88 120.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.951 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -120.97 116.64 50.46 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.831 -174.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.5 mt-10 -127.66 148.48 67.0 Favored Pre-proline 0 C--N 1.284 -2.28 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -89.73 154.85 5.12 Favored 'Trans proline' 0 N--CA 1.413 -3.246 0 C-N-CA 122.107 1.871 . . . . 0.0 109.19 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 32.6 t . . . . . 1 C--N 1.233 -4.471 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.084 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -82.28 136.17 35.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.637 0.732 . . . . 0.0 111.971 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.569 ' OG ' HG22 ' A' ' 33' ' ' VAL . 60.9 p -130.55 -153.24 0.55 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.225 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 34.6 p -160.44 131.41 5.61 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.69 109.12 7.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -107.71 166.71 10.49 Favored 'General case' 0 C--N 1.284 -2.267 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -101.03 120.07 39.66 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.158 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -107.62 97.44 7.17 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.6 -128.98 16.01 Favored Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -100.95 17.16 22.98 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 117.945 0.872 . . . . 0.0 112.253 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -122.05 127.92 25.75 Favored Pre-proline 0 N--CA 1.424 -1.728 0 O-C-N 122.03 -0.419 . . . . 0.0 110.017 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -62.68 130.29 29.19 Favored 'Trans proline' 0 C--O 1.244 0.783 0 C-N-CA 122.593 2.196 . . . . 0.0 110.462 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -128.36 138.94 52.59 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 120.991 0.424 . . . . 0.0 111.396 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t -104.16 127.24 58.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.13 124.96 28.82 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 123.457 0.473 . . . . 0.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -101.42 129.66 26.43 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -65.39 134.68 39.69 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.021 1.814 . . . . 0.0 110.112 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -57.93 -30.57 66.04 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 123.187 0.595 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -62.25 -34.95 77.5 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.484 -1.577 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.83 -48.93 69.44 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.728 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 76.5 mt-30 -63.97 -38.86 92.61 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.097 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.15 76.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.222 0.534 . . . . 0.0 112.305 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.404 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 74.1 mt -99.9 -5.42 28.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 t30 60.91 64.57 1.12 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.019 1.328 . . . . 0.0 112.713 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -128.98 167.15 17.87 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -139.01 -175.9 4.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mm -69.44 144.81 13.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.403 ' CG ' ' HZ3' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 82.07 13.32 0.56 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 125.121 1.368 . . . . 0.0 112.948 -178.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 5' ' ' SER . 13.3 t70 -79.17 128.22 33.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.578 ' O ' ' HB ' ' B' ' 47' ' ' VAL . 21.5 tt0 -87.05 106.15 17.65 Favored 'General case' 0 C--N 1.285 -2.239 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.513 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.3 m -103.2 160.01 4.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.579 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -98.88 129.43 45.24 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.313 0.383 . . . . 0.0 110.11 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.35 104.01 15.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 29.2 t70 -121.73 129.08 52.45 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.414 HD11 ' N ' ' B' ' 38' ' ' VAL . 0.6 OUTLIER -96.6 126.7 41.96 Favored 'General case' 0 N--CA 1.39 -3.438 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -175.074 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 50.3 t -146.7 134.73 15.3 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.213 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.48 22.06 7.64 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 124.011 0.925 . . . . 0.0 113.265 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.17 21.54 77.86 Favored Glycine 0 N--CA 1.437 -1.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.772 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 47.5 pttt -130.18 158.74 38.87 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 176.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.7 mt -86.24 118.16 25.51 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 39.7 mm -98.12 119.84 46.67 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.986 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.32 115.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.92 -174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.94 148.81 61.11 Favored Pre-proline 0 C--N 1.283 -2.29 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -89.39 155.86 5.45 Favored 'Trans proline' 0 N--CA 1.41 -3.396 0 C-N-CA 121.887 1.725 . . . . 0.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' B' ' 32' ' ' GLU . 21.2 t . . . . . 0 C--N 1.248 -3.831 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.274 -174.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -90.48 135.21 33.83 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.273 0.558 . . . . 0.0 110.764 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 m -149.14 -166.64 2.61 Favored 'General case' 0 C--N 1.279 -2.459 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.579 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 8.2 p -145.14 158.19 43.89 Favored 'General case' 0 N--CA 1.417 -2.093 0 CA-C-O 121.169 0.509 . . . . 0.0 110.829 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -93.58 117.18 36.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.579 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 57.6 mttm -117.49 172.05 7.59 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.112 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -98.87 118.66 36.13 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.552 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -112.55 94.09 4.75 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.93 -128.56 11.08 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 108.159 -1.976 . . . . 0.0 108.159 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -100.83 29.48 4.53 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -132.97 120.69 16.48 Favored Pre-proline 0 N--CA 1.414 -2.253 0 O-C-N 121.142 -0.973 . . . . 0.0 110.959 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -66.1 121.89 9.3 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.916 1.744 . . . . 0.0 110.216 172.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.62 145.1 51.82 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -113.02 143.6 22.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -81.24 129.33 34.55 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.594 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.9 130.65 22.51 Favored Pre-proline 0 C--N 1.311 -1.085 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -63.25 136.05 53.62 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.847 1.698 . . . . 0.0 111.242 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 23' ' ' GLN . . . -62.63 -27.41 69.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.098 0.475 . . . . 0.0 110.183 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -58.58 -39.43 80.31 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.408 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.46 -34.79 54.34 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-O 121.03 0.443 . . . . 0.0 110.633 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 84.4 mmm -53.63 -49.97 66.73 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.38 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 83.6 mm-40 -69.49 -32.88 72.03 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.508 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.37 75.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.414 0.626 . . . . 0.0 111.913 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.33 -2.86 23.42 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.594 0.711 . . . . 0.0 110.525 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.9 t30 55.59 63.73 1.97 Allowed 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 126.107 1.763 . . . . 0.0 113.305 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 158.85 26.83 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -124.73 179.04 5.15 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -69.38 135.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.032 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 71.47 27.3 3.08 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.84 1.656 . . . . 0.0 111.441 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -94.44 149.81 20.88 Favored 'General case' 0 N--CA 1.422 -1.858 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -90.64 137.59 32.24 Favored 'General case' 0 C--N 1.275 -2.642 0 O-C-N 123.717 0.635 . . . . 0.0 111.799 -170.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.5 m -135.5 158.33 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.102 0.477 . . . . 0.0 111.699 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -98.93 131.2 45.18 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.497 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.48 129.58 71.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 173.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -138.71 154.68 48.59 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -103.22 120.12 40.14 Favored 'General case' 1 N--CA 1.372 -4.355 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -143.41 124.55 10.74 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.627 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 61.23 24.04 14.19 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.372 1.082 . . . . 0.0 111.47 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.84 19.29 58.17 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.53 -0.759 . . . . 0.0 113.976 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 159.05 43.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 117.444 0.622 . . . . 0.0 109.428 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -91.14 120.84 32.42 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.238 1.018 . . . . 0.0 109.113 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -99.29 117.08 43.9 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.361 0 CA-C-N 113.491 -1.686 . . . . 0.0 108.173 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.86 104.9 17.81 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.971 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 31.0 tt0 -124.04 118.48 26.8 Favored Pre-proline 0 C--N 1.291 -1.94 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 7.6 Cg_endo -57.83 151.84 53.87 Favored 'Trans proline' 0 N--CA 1.431 -2.184 0 C-N-CA 124.017 3.144 . . . . 0.0 111.583 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.7 t . . . . . 0 C--N 1.269 -2.933 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -96.25 122.62 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.655 0.74 . . . . 0.0 111.865 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 60.1 m -134.22 -164.65 1.53 Allowed 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.851 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.596 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 5.7 p -143.39 167.06 23.07 Favored 'General case' 0 N--CA 1.414 -2.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.61 113.37 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.596 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 61.4 mttm -112.49 171.0 7.78 Favored 'General case' 0 C--N 1.264 -3.134 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.458 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -95.15 118.78 32.53 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.151 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -113.18 94.22 4.78 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.77 -127.24 10.27 Favored Glycine 0 N--CA 1.428 -1.885 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -97.47 14.38 26.6 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.772 0.796 . . . . 0.0 110.116 174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -121.33 125.97 26.71 Favored Pre-proline 0 N--CA 1.405 -2.704 0 O-C-N 120.815 -1.178 . . . . 0.0 109.893 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.57 127.07 16.52 Favored 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 121.891 1.727 . . . . 0.0 109.67 171.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.84 145.87 48.72 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -114.85 140.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.99 128.41 33.23 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 123.653 0.596 . . . . 0.0 112.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.75 132.06 21.21 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -64.77 136.96 51.64 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.848 1.699 . . . . 0.0 110.998 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -63.77 -26.82 68.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -60.53 -37.13 80.21 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.264 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -33.99 48.17 Favored 'General case' 0 CA--C 1.482 -1.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.529 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.7 mmm -54.09 -50.96 65.64 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.413 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.63 -33.02 73.29 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.134 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -28.11 69.28 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.16 6.34 16.26 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.989 0.899 . . . . 0.0 110.058 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 66.9 t30 47.57 62.37 2.48 Favored 'General case' 0 C--O 1.25 1.111 0 C-N-CA 126.902 2.081 . . . . 0.0 113.799 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.97 156.19 28.94 Favored 'General case' 0 N--CA 1.392 -3.345 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 172.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -125.84 -179.43 4.67 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.52 138.96 21.42 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-O 120.875 0.369 . . . . 0.0 110.224 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 71.07 25.73 3.63 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 126.287 1.835 . . . . 0.0 111.687 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -92.76 144.38 25.35 Favored 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -87.27 135.31 33.36 Favored 'General case' 0 C--N 1.281 -2.407 0 O-C-N 123.646 0.591 . . . . 0.0 111.428 -171.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.483 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -135.16 155.57 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.201 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -96.3 131.66 42.58 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.755 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.31 127.44 71.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -137.57 150.53 47.54 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.29 119.07 36.32 Favored 'General case' 1 N--CA 1.375 -4.22 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 175.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -143.06 128.69 16.41 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.733 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.471 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 58.77 22.67 10.33 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 122.261 1.029 . . . . 0.0 112.016 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.43 61.39 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.579 -0.82 . . . . 0.0 113.452 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 161.91 35.88 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 122.526 -0.396 . . . . 0.0 109.966 177.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -92.92 119.4 32.18 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-O 122.145 0.974 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -98.06 119.13 45.67 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.45 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.551 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.6 mm -109.33 106.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.909 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.429 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 33.1 tt0 -125.34 115.08 25.6 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 7.9 Cg_endo -57.66 150.95 58.25 Favored 'Trans proline' 0 N--CA 1.433 -2.081 0 C-N-CA 123.764 2.976 . . . . 0.0 111.739 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' B' ' 33' ' ' VAL . 22.8 t . . . . . 0 C--N 1.266 -3.049 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.3 mt . . . . . 0 N--CA 1.442 -0.857 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -137.94 122.56 18.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 122.141 0.972 . . . . 0.0 110.886 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.8 m -132.34 -160.13 1.02 Allowed 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.264 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.559 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 12.7 p -150.57 155.34 39.24 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 118.042 0.383 . . . . 0.0 110.551 -178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -82.52 122.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -111.3 166.91 10.7 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.62 119.88 39.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.578 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -105.54 93.05 4.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.62 -112.72 3.61 Favored Glycine 0 N--CA 1.431 -1.696 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -108.54 16.82 22.66 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -135.37 138.31 28.48 Favored Pre-proline 0 N--CA 1.417 -2.076 0 O-C-N 120.744 -1.223 . . . . 0.0 111.144 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -66.8 125.59 13.98 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 123.316 2.678 . . . . 0.0 111.482 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.64 142.26 45.16 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.196 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.01 139.4 35.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -80.69 126.09 30.85 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 123.665 0.603 . . . . 0.0 109.801 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -97.81 129.81 30.41 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 132.93 43.8 Favored 'Trans proline' 0 C--O 1.258 1.496 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 22' ' ' MET . . . -58.41 -29.51 66.14 Favored 'General case' 0 C--O 1.213 -0.863 0 C-N-CA 123.38 0.672 . . . . 0.0 111.006 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -54.26 -40.43 67.78 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 123.561 0.744 . . . . 0.0 111.428 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HG ' HD22 ' B' ' 42' ' ' LEU . 3.8 mm? -78.89 -35.14 44.08 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.819 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.499 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 83.2 mmm -52.26 -45.79 65.53 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.427 -1.261 . . . . 0.0 109.075 173.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 46.8 mt-30 -80.83 -19.25 45.05 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.581 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -40.16 48.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.046 0.927 . . . . 0.0 109.484 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.5 -19.16 20.78 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.272 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 70.08 69.59 0.22 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 113.593 -1.64 . . . . 0.0 112.034 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.69 174.1 8.99 Favored 'General case' 0 N--CA 1.408 -2.57 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -142.54 -169.9 3.08 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.96 140.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-O 121.183 0.516 . . . . 0.0 112.146 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 t70 74.04 20.51 2.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.69 1.996 . . . . 0.0 110.154 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.29 134.25 34.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -70.27 139.73 52.2 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.3 -176.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.56 151.09 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 CA-C-O 121.198 0.523 . . . . 0.0 110.789 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -95.09 133.85 38.44 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.903 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.2 mp -110.4 103.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.644 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 28.1 m-20 -97.43 124.92 41.79 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -99.32 131.26 45.47 Favored 'General case' 0 N--CA 1.38 -3.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -172.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -145.02 110.09 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.873 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 64.19 22.17 12.77 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 123.42 0.688 . . . . 0.0 112.462 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 -0.51 89.15 Favored Glycine 0 C--N 1.3 -1.45 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.145 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -87.73 133.37 33.86 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 HD22 ' HG ' ' B' ' 21' ' ' LEU . 23.1 mt -91.47 114.98 27.65 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 121.881 0.848 . . . . 0.0 111.813 -176.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.644 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.7 mp -99.65 121.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.171 176.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -107.5 114.54 46.53 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.032 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.178 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 41.8 tt0 -136.36 110.83 9.81 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.509 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 6.2 Cg_endo -48.32 157.71 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.771 2.981 . . . . 0.0 113.306 171.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.268 -2.969 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 177.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.15 138.08 46.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.436 0.636 . . . . 0.0 109.997 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.5 m -146.36 -159.28 1.0 Allowed 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.579 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.1 p -150.86 153.73 35.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 118.322 0.51 . . . . 0.0 110.903 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.46 123.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.579 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.7 mmtt -112.55 167.83 10.15 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -102.73 116.56 32.83 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.81 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -103.52 94.14 5.32 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -115.15 4.11 Favored Glycine 0 N--CA 1.423 -2.172 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.02 22.63 14.63 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.163 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -139.04 139.3 22.97 Favored Pre-proline 0 N--CA 1.417 -2.105 0 O-C-N 120.984 -1.072 . . . . 0.0 110.475 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.77 126.9 16.08 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 123.382 2.722 . . . . 0.0 111.665 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.71 140.66 46.14 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.23 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.17 138.34 38.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -80.93 125.94 30.76 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 123.584 0.553 . . . . 0.0 110.026 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -95.22 132.05 28.7 Favored Pre-proline 0 C--N 1.305 -1.329 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.36 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.45 129.23 27.34 Favored 'Trans proline' 0 C--O 1.256 1.388 0 C-N-CA 122.668 2.245 . . . . 0.0 111.39 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -59.58 -25.28 64.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.24 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -58.25 -37.68 75.39 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.952 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.404 ' HG ' HD22 ' A' ' 42' ' ' LEU . 3.8 mm? -80.59 -35.56 34.01 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 120.998 0.428 . . . . 0.0 110.529 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.4 mmm -51.63 -47.12 63.8 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.975 173.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.75 -24.49 52.98 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.981 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.9 62.14 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-O 122.052 0.93 . . . . 0.0 110.006 -171.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.59 -25.17 19.32 Favored 'General case' 0 C--N 1.284 -2.27 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.377 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 76.53 69.86 0.07 Allowed 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.478 -1.692 . . . . 0.0 112.18 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.6 178.22 5.54 Favored 'General case' 0 N--CA 1.402 -2.836 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.617 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -142.85 -172.12 3.59 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 123.246 0.618 . . . . 0.0 109.465 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 28.4 mm -72.13 138.75 20.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.904 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 74.58 25.88 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 126.197 1.799 . . . . 0.0 109.674 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -94.91 135.2 36.71 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.48 138.04 48.67 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.267 1.027 . . . . 0.0 111.613 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.407 ' HA ' HG21 ' B' ' 47' ' ' VAL . 1.5 m -133.87 149.0 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-O 120.983 0.421 . . . . 0.0 109.905 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HZ2' ' HB2' ' B' ' 34' ' ' LYS . 9.4 mtmp? -93.44 135.24 34.87 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.32 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.0 mp -109.42 105.19 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.221 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 173.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.615 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 12.7 m-20 -97.89 128.8 44.72 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -102.29 131.77 48.66 Favored 'General case' 0 N--CA 1.383 -3.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -172.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -145.91 110.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.903 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 62.87 21.47 12.85 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.578 1.151 . . . . 0.0 112.859 176.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.36 -0.47 85.47 Favored Glycine 0 C--N 1.305 -1.157 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.59 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -87.72 132.63 34.06 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.419 HD22 ' HG ' ' A' ' 21' ' ' LEU . 54.7 mt -90.57 113.08 25.01 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.854 0.835 . . . . 0.0 112.266 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.7 mp -98.01 120.56 47.5 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.371 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.9 mm -107.9 116.31 51.02 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-N 114.087 -1.415 . . . . 0.0 109.16 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.451 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.2 tt0 -139.51 110.67 7.53 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.675 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.7 Cg_endo -47.75 156.97 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.117 3.212 . . . . 0.0 113.6 172.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' B' ' 33' ' ' VAL . 21.8 t . . . . . 0 C--N 1.272 -2.795 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.0 mt . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -103.57 100.72 10.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.408 1.099 . . . . 0.0 110.37 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -112.6 -165.12 0.96 Allowed 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -148.03 157.2 43.39 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -176.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.5 t -86.32 126.9 40.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -114.96 168.89 9.51 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -103.75 118.44 36.71 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.128 0.49 . . . . 0.0 111.412 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -104.69 96.32 6.5 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.1 -122.38 6.16 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 107.603 -2.199 . . . . 0.0 107.603 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.29 26.25 10.85 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.826 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -132.83 134.78 24.97 Favored Pre-proline 0 N--CA 1.427 -1.623 0 O-C-N 121.65 -0.656 . . . . 0.0 110.385 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -65.43 126.68 16.65 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 123.137 2.558 . . . . 0.0 111.787 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.04 144.66 50.18 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 p -121.35 139.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -80.57 126.94 31.87 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.872 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -87.7 127.58 57.68 Favored Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.89 132.82 49.82 Favored 'Trans proline' 0 C--O 1.252 1.179 0 C-N-CA 121.799 1.666 . . . . 0.0 111.11 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.92 68.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.382 0.61 . . . . 0.0 109.664 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -59.2 -39.72 83.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.021 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.12 -37.69 33.08 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-O 120.796 0.332 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -48.85 -49.48 39.17 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.083 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.92 -18.79 45.94 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.834 -1.076 . . . . 0.0 113.056 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -34.51 65.65 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.881 0.848 . . . . 0.0 109.638 -174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.52 -27.08 15.03 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.872 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 70.53 68.88 0.2 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.749 1.619 . . . . 0.0 109.674 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.24 167.09 11.84 Favored 'General case' 0 N--CA 1.415 -2.2 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -129.37 -172.85 2.85 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -75.97 143.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.07 28.3 2.53 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 124.423 1.089 . . . . 0.0 110.812 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.52 132.15 44.18 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.48 139.23 57.02 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 124.377 1.071 . . . . 0.0 110.67 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.47 ' HA ' HG23 ' A' ' 47' ' ' VAL . 5.1 m -131.83 149.6 32.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 CA-C-O 120.764 0.316 . . . . 0.0 110.405 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -94.42 126.91 39.99 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.94 106.55 18.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.61 138.3 53.43 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.62 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.13 126.86 35.34 Favored 'General case' 0 N--CA 1.398 -3.064 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.73 123.87 4.83 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.527 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.749 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 60.37 20.74 10.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.8 1.24 . . . . 0.0 111.76 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.7 -2.17 79.73 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.625 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 156.86 19.88 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 117.899 0.849 . . . . 0.0 109.274 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.1 mt -90.99 117.6 29.71 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-O 122.121 0.962 . . . . 0.0 109.051 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -87.53 100.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 CA-C-N 113.233 -1.803 . . . . 0.0 106.911 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.4 mt -111.56 104.76 17.57 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.316 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.104 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 39.4 tt0 -120.5 108.43 37.61 Favored Pre-proline 0 C--N 1.282 -2.346 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.735 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 11.4 Cg_endo -54.69 150.58 35.44 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 121.968 1.779 . . . . 0.0 110.235 169.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 33' ' ' VAL . 10.6 t . . . . . 0 C--N 1.254 -3.549 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.213 -173.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.431 -1.402 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -97.27 104.37 16.38 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 122.434 1.111 . . . . 0.0 110.548 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.4 m -114.06 -164.78 0.95 Allowed 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.894 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -150.48 156.71 41.97 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -85.53 124.85 40.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -110.88 172.0 7.13 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -108.06 115.35 29.97 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -102.11 94.83 5.96 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.84 5.3 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -111.46 28.06 9.09 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.4 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.3 m -136.73 136.14 21.23 Favored Pre-proline 0 N--CA 1.417 -2.098 0 O-C-N 121.626 -0.672 . . . . 0.0 110.292 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.83 126.43 15.95 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 123.067 2.511 . . . . 0.0 111.513 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 143.83 50.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.734 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -121.87 138.15 53.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -81.74 123.25 28.59 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.622 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -84.06 128.25 63.46 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.31 133.85 55.13 Favored 'Trans proline' 0 C--O 1.251 1.126 0 C-N-CA 121.872 1.715 . . . . 0.0 111.392 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -27.85 68.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.393 0.616 . . . . 0.0 109.613 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -59.78 -38.91 83.2 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.395 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.77 -37.92 26.44 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.044 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.1 mmm -49.42 -49.33 45.45 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.372 1.045 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -82.09 -18.2 43.86 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.854 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.03 73.72 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 122.083 0.944 . . . . 0.0 109.117 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -95.12 -25.46 16.42 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.061 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 67.93 70.54 0.33 Allowed 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 125.547 1.539 . . . . 0.0 109.544 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.87 169.02 10.22 Favored 'General case' 0 N--CA 1.411 -2.415 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -130.51 -175.68 3.73 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.35 145.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.45 27.65 3.03 Favored 'General case' 0 CA--C 1.49 -1.347 0 C-N-CA 124.232 1.013 . . . . 0.0 111.267 -177.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -100.27 136.39 40.23 Favored 'General case' 0 N--CA 1.423 -1.794 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.73 138.72 50.78 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 124.17 0.988 . . . . 0.0 110.896 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.463 ' HA ' HG23 ' B' ' 47' ' ' VAL . 4.6 m -131.23 149.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -92.86 128.73 38.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.541 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.76 105.96 17.31 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -127.6 136.75 52.09 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.99 128.28 35.08 Favored 'General case' 0 N--CA 1.397 -3.084 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -146.41 123.47 3.74 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.906 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 57.02 29.4 16.38 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.947 0.899 . . . . 0.0 112.156 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.42 -3.77 86.74 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.121 -0.561 . . . . 0.0 114.205 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 154.61 25.19 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 117.917 0.858 . . . . 0.0 109.378 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.79 116.76 26.16 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-O 121.856 0.836 . . . . 0.0 108.929 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mm -86.23 100.98 9.95 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.067 0 CA-C-N 113.608 -1.633 . . . . 0.0 106.853 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -111.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.942 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 36.4 tt0 -125.64 109.42 25.77 Favored Pre-proline 0 C--N 1.275 -2.67 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.659 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 10.5 Cg_endo -53.52 150.52 27.13 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 C-N-CA 122.186 1.924 . . . . 0.0 110.65 170.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' B' ' 33' ' ' VAL . 12.5 t . . . . . 0 C--N 1.259 -3.362 0 CA-C-N 115.432 -0.803 . . . . 0.0 108.876 -174.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.436 -1.139 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' B' ' 33' ' ' VAL . 12.7 m-70 -90.81 119.54 31.11 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.297 0.57 . . . . 0.0 111.871 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.421 ' HG ' HD13 ' B' ' 35' ' ' ILE . 97.0 p -110.18 -143.66 0.39 Allowed 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' B' ' 32' ' ' GLU . 26.2 t -160.91 137.94 8.93 Favored 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.419 ' HB ' ' OD1' ' B' ' 31' ' ' ASP . 88.0 t -80.16 115.73 23.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 174.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -110.85 176.34 5.07 Favored 'General case' 0 N--CA 1.413 -2.281 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.94 115.62 30.12 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.786 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -105.56 96.08 6.26 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.86 -122.47 5.86 Favored Glycine 0 N--CA 1.431 -1.643 0 N-CA-C 107.173 -2.371 . . . . 0.0 107.173 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -110.72 26.99 10.1 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 117.395 0.597 . . . . 0.0 110.136 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 m -129.24 131.84 23.92 Favored Pre-proline 0 N--CA 1.417 -2.092 0 O-C-N 121.787 -0.571 . . . . 0.0 109.876 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.8 Cg_endo -64.79 122.05 9.77 Favored 'Trans proline' 0 C--N 1.317 -1.109 0 C-N-CA 122.499 2.133 . . . . 0.0 110.908 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.42 132.82 50.03 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.814 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -104.19 137.75 31.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -78.75 116.46 19.11 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 123.768 0.667 . . . . 0.0 109.551 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.2 mp -95.89 139.95 22.07 Favored Pre-proline 0 C--N 1.305 -1.369 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -69.09 121.63 8.47 Favored 'Trans proline' 0 C--O 1.255 1.357 0 C-N-CA 121.345 1.364 . . . . 0.0 110.117 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.44 -24.3 67.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.25 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -55.09 -28.48 52.76 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.597 1.159 . . . . 0.0 111.986 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.22 -33.04 26.2 Favored 'General case' 0 CA--C 1.49 -1.346 0 CA-C-O 121.505 0.669 . . . . 0.0 111.019 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtp -61.93 -45.65 92.75 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -68.94 -24.45 64.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.051 -1.431 . . . . 0.0 112.208 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.92 85.42 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.1 -20.72 21.72 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.179 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 75.08 70.0 0.09 Allowed 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.807 1.243 . . . . 0.0 111.019 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' C ' HD21 ' A' ' 28' ' ' ASN . 4.4 pp -134.7 175.2 9.77 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.56 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.402 HD21 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -136.44 167.81 20.64 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 122.672 0.389 . . . . 0.0 110.198 -178.063 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.4 mm -48.88 148.51 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.431 0 O-C-N 124.864 1.353 . . . . 0.0 111.139 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 t70 87.31 10.94 0.14 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.471 1.509 . . . . 0.0 109.969 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' OD1' ' HB ' ' B' ' 6' ' ' VAL . 8.1 p-10 -79.6 -174.4 4.27 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' B' ' 5' ' ' SER . 9.2 pt-20 -131.34 159.47 37.84 Favored 'General case' 0 C--N 1.286 -2.167 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.022 -175.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 1.6 m -133.89 145.12 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.929 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.082 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -93.57 104.93 17.02 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.571 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.422 HD12 ' HG ' ' B' ' 4' ' ' SER . 5.1 mp -87.3 121.2 37.68 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.37 141.25 48.83 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.65 130.76 45.17 Favored 'General case' 0 N--CA 1.383 -3.79 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.57 107.17 2.24 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.816 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.708 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 29.4 t70 48.99 62.49 2.57 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.48 1.112 . . . . 0.0 113.346 176.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.93 -12.02 9.86 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.358 0.903 . . . . 0.0 115.358 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.54 ' HD3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -115.48 150.19 36.9 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 118.61 1.205 . . . . 0.0 110.915 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -97.41 126.69 42.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.792 0.806 . . . . 0.0 109.114 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mm -91.82 110.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.229 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -111.77 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.875 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.313 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -118.39 101.47 51.06 Favored Pre-proline 0 C--N 1.298 -1.653 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.7 142.73 82.2 Favored 'Trans proline' 0 C--O 1.247 0.974 0 C-N-CA 123.088 2.525 . . . . 0.0 112.676 172.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.257 -3.452 0 CA-C-N 113.238 -1.801 . . . . 0.0 111.193 -176.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.438 -1.045 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . 0.547 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 11.8 m170 -90.12 118.19 29.46 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.102 0.477 . . . . 0.0 111.602 -176.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.543 ' OG ' HG23 ' A' ' 33' ' ' VAL . 93.7 p -107.7 -148.95 0.43 Allowed 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 31.4 t -156.48 138.24 14.24 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . 0.409 ' HB ' ' OD1' ' A' ' 31' ' ' ASP . 92.3 t -80.24 114.7 21.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -110.58 169.74 8.55 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -101.97 118.84 37.75 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.158 0.504 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -109.49 97.78 7.28 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 -119.54 5.53 Favored Glycine 0 N--CA 1.434 -1.475 0 N-CA-C 108.173 -1.971 . . . . 0.0 108.173 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -111.18 25.27 11.92 Favored 'General case' 0 C--N 1.288 -2.081 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.935 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -129.14 134.71 26.61 Favored Pre-proline 0 N--CA 1.412 -2.342 0 O-C-N 121.641 -0.662 . . . . 0.0 109.818 -175.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 15.1 Cg_endo -66.42 121.27 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.635 2.224 . . . . 0.0 109.869 172.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.81 132.14 51.08 Favored 'General case' 0 N--CA 1.412 -2.36 0 CA-C-O 121.259 0.552 . . . . 0.0 109.755 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.58 137.92 28.8 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -79.35 113.26 17.35 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 123.625 0.578 . . . . 0.0 109.742 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.508 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.2 mp -93.6 137.6 23.25 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -67.61 121.87 9.0 Favored 'Trans proline' 0 C--O 1.254 1.277 0 C-N-CA 121.415 1.41 . . . . 0.0 110.078 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -24.0 67.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 111.484 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -54.43 -27.75 39.25 Favored 'General case' 0 CA--C 1.575 1.923 0 C-N-CA 124.891 1.277 . . . . 0.0 111.919 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.6 -33.15 23.41 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 121.481 0.658 . . . . 0.0 111.17 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.401 ' O ' ' HG ' ' B' ' 27' ' ' LEU . 78.3 mtp -61.57 -44.46 96.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.9 -26.4 65.08 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.794 -1.548 . . . . 0.0 111.979 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.12 71.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.296 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.48 -15.68 21.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.966 -0.693 . . . . 0.0 109.332 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 71.31 68.87 0.17 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.411 1.084 . . . . 0.0 112.112 -173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 22' ' ' MET . 4.5 pp -134.95 174.97 10.0 Favored 'General case' 0 N--CA 1.409 -2.486 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.821 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 171.43 14.51 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.042 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.9 mm -52.14 148.21 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.246 0 O-C-N 124.734 1.271 . . . . 0.0 111.422 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t70 88.77 10.72 0.09 Allowed 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 125.865 1.666 . . . . 0.0 110.262 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' HB ' ' A' ' 6' ' ' VAL . 8.5 p-10 -79.8 -174.82 4.57 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 9.2 pt-20 -130.08 158.71 38.89 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.109 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 1.4 m -134.71 143.35 37.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.04 -1.064 . . . . 0.0 109.716 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -92.24 103.46 15.92 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.001 0.813 . . . . 0.0 110.344 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.421 HD13 ' HG ' ' A' ' 4' ' ' SER . 4.3 mp -85.39 118.69 32.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -130.53 139.78 50.49 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 174.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.79 130.38 44.06 Favored 'General case' 0 N--CA 1.388 -3.547 0 N-CA-C 107.346 -1.354 . . . . 0.0 107.346 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.13 106.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.677 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.007 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.555 ' O ' ' HD3' ' B' ' 41' ' ' LYS . 31.3 t70 48.89 62.77 2.42 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.358 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.0 -15.12 8.87 Favored Glycine 0 C--N 1.306 -1.137 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.555 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 0.0 OUTLIER -114.87 151.52 33.8 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-N 118.29 1.045 . . . . 0.0 111.375 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.57 126.06 41.48 Favored 'General case' 0 N--CA 1.416 -2.145 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.188 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.31 110.91 23.08 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.366 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.24 104.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.858 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.25 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -119.22 104.66 45.67 Favored Pre-proline 0 C--N 1.289 -2.031 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.721 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.74 144.54 75.84 Favored 'Trans proline' 0 C--O 1.252 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.679 171.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.256 -3.474 0 CA-C-N 113.443 -1.708 . . . . 0.0 111.472 -178.652 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 61.2 mt . . . . . 0 N--CA 1.434 -1.26 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -95.1 101.35 13.09 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 122.303 1.049 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 m -106.01 -164.01 0.98 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 113.955 -1.475 . . . . 0.0 110.461 -176.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -157.76 171.99 19.31 Favored 'General case' 0 N--CA 1.423 -1.813 0 CA-C-O 120.81 0.338 . . . . 0.0 110.268 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.6 t -115.93 118.14 57.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -113.75 173.41 6.44 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.637 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -102.94 116.56 32.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.552 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -109.12 98.38 7.84 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.98 -129.07 12.44 Favored Glycine 0 N--CA 1.424 -2.103 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -174.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -95.99 13.68 26.18 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-N 117.45 0.625 . . . . 0.0 110.548 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 m -123.43 127.46 25.56 Favored Pre-proline 0 N--CA 1.404 -2.76 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.591 -170.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -61.61 125.25 16.29 Favored 'Trans proline' 0 N--CA 1.44 -1.66 0 C-N-CA 122.0 1.8 . . . . 0.0 109.181 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -123.47 139.72 53.73 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-O 120.931 0.396 . . . . 0.0 110.802 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' B' ' 14' ' ' ALA . 92.4 t -104.63 130.05 56.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -83.05 107.66 15.79 Favored 'General case' 0 N--CA 1.436 -1.133 0 O-C-N 123.63 0.582 . . . . 0.0 110.53 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.5 mm -87.96 126.82 59.94 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -62.96 132.56 37.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 121.601 1.534 . . . . 0.0 110.499 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.09 68.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -57.93 -39.93 79.21 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.083 0.953 . . . . 0.0 110.414 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.98 -33.85 44.7 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.919 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.0 mmm -55.32 -46.55 76.31 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.677 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.21 -36.6 79.78 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.99 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.78 69.21 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.16 0.505 . . . . 0.0 112.204 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 81.0 mt -99.32 -8.36 25.0 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.273 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.4 t30 59.93 66.94 0.92 Allowed 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 125.88 1.672 . . . . 0.0 113.531 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -130.24 171.53 12.79 Favored 'General case' 0 N--CA 1.406 -2.65 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.285 172.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -137.78 -175.24 4.02 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.69 139.46 19.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.306 0.574 . . . . 0.0 110.11 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 64.09 50.38 2.47 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 126.367 1.867 . . . . 0.0 109.556 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -110.32 132.83 53.83 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 170.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.4 tt0 -83.37 132.89 34.97 Favored 'General case' 0 N--CA 1.414 -2.261 0 O-C-N 123.56 0.537 . . . . 0.0 110.0 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.514 ' HA ' HG21 ' A' ' 47' ' ' VAL . 4.0 m -129.78 157.11 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.162 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.1 mtmt -93.27 139.15 30.95 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.636 176.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.44 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 11.4 mm -115.57 99.33 8.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 171.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -104.54 136.6 43.8 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 38' ' ' VAL . 1.1 tm? -94.4 125.95 39.36 Favored 'General case' 0 N--CA 1.388 -3.557 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 45.1 t -148.06 132.3 9.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 57.3 25.03 10.67 Favored 'General case' 0 N--CA 1.499 2.001 0 C-N-CA 123.814 0.846 . . . . 0.0 112.792 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.56 17.68 79.7 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.173 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 12.8 ptpt -129.76 166.25 20.26 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 117.889 0.844 . . . . 0.0 109.412 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt -93.94 116.79 29.27 Favored 'General case' 0 CA--C 1.48 -1.72 0 CA-C-O 121.941 0.877 . . . . 0.0 109.269 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.9 119.97 52.06 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.965 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.65 122.49 69.58 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.978 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.61 149.91 74.87 Favored Pre-proline 0 C--N 1.287 -2.121 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.13 170.02 12.46 Favored 'Trans proline' 0 N--CA 1.409 -3.472 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.514 HG21 ' HA ' ' A' ' 33' ' ' VAL . 25.4 t . . . . . 0 C--N 1.27 -2.89 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . 0.44 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 61.8 mt . . . . . 0 N--CA 1.434 -1.249 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -86.73 113.08 22.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.864 0.84 . . . . 0.0 108.759 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 57.6 m -118.98 -166.17 1.22 Allowed 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.642 -175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.5 p -156.98 170.87 21.54 Favored 'General case' 0 N--CA 1.417 -2.083 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 90.6 t -115.28 122.95 70.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -118.26 175.11 5.85 Favored 'General case' 0 C--N 1.274 -2.676 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.838 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -103.81 118.57 37.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.923 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -113.2 99.27 7.69 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.71 -129.4 12.01 Favored Glycine 0 N--CA 1.433 -1.532 0 N-CA-C 107.985 -2.046 . . . . 0.0 107.985 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -97.42 14.61 25.72 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.293 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -122.51 128.03 25.6 Favored Pre-proline 0 N--CA 1.404 -2.746 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.69 -171.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.63 124.44 14.61 Favored 'Trans proline' 0 N--CA 1.442 -1.551 0 C-N-CA 122.265 1.977 . . . . 0.0 109.417 171.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . . . -121.67 140.09 52.72 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-O 120.982 0.42 . . . . 0.0 110.841 -176.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 85.7 t -106.47 129.5 59.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.94 113.12 17.86 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 123.754 0.659 . . . . 0.0 109.946 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.94 124.93 54.9 Favored Pre-proline 0 C--N 1.302 -1.48 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.4 129.01 26.59 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.769 1.646 . . . . 0.0 110.488 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.94 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.071 0.549 . . . . 0.0 111.277 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -56.67 -38.53 72.36 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.757 0.823 . . . . 0.0 110.66 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.74 -34.12 40.23 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.082 0.467 . . . . 0.0 110.853 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 83.4 mmm -55.22 -46.77 75.95 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.524 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.4 -38.46 87.54 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.161 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.77 -32.26 70.65 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.653 0.739 . . . . 0.0 112.163 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 76.0 mt -100.02 -2.5 34.3 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.493 0.663 . . . . 0.0 110.147 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 55.38 66.04 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 125.746 1.618 . . . . 0.0 113.734 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -130.44 164.15 25.4 Favored 'General case' 0 N--CA 1.4 -2.937 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.089 172.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -131.23 -176.21 3.94 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.71 139.43 20.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.278 0.561 . . . . 0.0 110.473 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.8 46.03 3.14 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 126.505 1.922 . . . . 0.0 110.657 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -104.14 130.62 51.88 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -81.33 130.7 35.14 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.497 ' HA ' HG21 ' B' ' 47' ' ' VAL . 3.4 m -130.97 153.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -90.75 141.27 28.97 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.963 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 12.1 mm -116.77 98.7 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 171.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.12 135.83 44.87 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 38' ' ' VAL . 0.9 OUTLIER -93.33 125.94 38.19 Favored 'General case' 0 N--CA 1.384 -3.735 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 177.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 32.2 t -146.87 132.98 13.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -177.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 57.07 24.8 10.05 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.041 0.936 . . . . 0.0 112.571 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.65 16.96 78.42 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.792 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 13.5 ptpt -130.06 168.31 16.94 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 117.514 0.657 . . . . 0.0 109.447 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -95.15 115.02 26.88 Favored 'General case' 0 CA--C 1.483 -1.615 0 CA-C-O 121.806 0.812 . . . . 0.0 109.7 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.4 117.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 114.189 -1.369 . . . . 0.0 107.971 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.9 mt -117.23 122.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.728 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.79 151.6 79.11 Favored Pre-proline 0 C--N 1.279 -2.498 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.34 170.32 11.98 Favored 'Trans proline' 0 N--CA 1.406 -3.671 0 N-CA-C 108.87 -1.242 . . . . 0.0 108.87 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' B' ' 33' ' ' VAL . 37.1 t . . . . . 0 C--N 1.267 -2.999 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 78.5 mt . . . . . 0 N--CA 1.443 -0.783 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.9 123.94 48.78 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 m -137.6 -166.3 1.92 Allowed 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 59.8 p -148.82 151.36 34.63 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 118.205 0.457 . . . . 0.0 110.336 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.63 117.68 21.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 71.6 mmtt -108.93 170.05 8.29 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -100.67 122.56 43.54 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -112.53 95.95 5.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.79 -124.57 8.66 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -101.02 20.43 15.56 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -134.49 137.47 27.84 Favored Pre-proline 0 N--CA 1.417 -2.109 0 O-C-N 121.698 -0.626 . . . . 0.0 110.294 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 23.3 Cg_endo -68.87 129.75 19.13 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.864 2.376 . . . . 0.0 111.091 174.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.61 140.69 49.47 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.86 128.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -74.69 132.81 41.97 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.442 0.464 . . . . 0.0 110.914 178.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mm -98.7 129.92 28.97 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -61.16 131.28 35.91 Favored 'Trans proline' 0 C--O 1.251 1.165 0 C-N-CA 121.918 1.746 . . . . 0.0 111.474 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.72 66.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.111 0.564 . . . . 0.0 110.943 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -57.05 -42.98 81.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.235 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.04 -33.37 57.35 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.305 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.3 mmm -51.31 -53.0 40.17 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.629 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.91 -32.61 71.01 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.337 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.59 71.79 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.646 0.736 . . . . 0.0 110.829 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.421 HD22 ' O ' ' B' ' 40' ' ' GLY . 83.1 mt -92.82 -10.16 37.81 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.714 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 64.22 27.09 13.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.595 1.158 . . . . 0.0 111.362 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.93 178.05 5.89 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -144.03 -175.95 4.81 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -176.331 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.0 mm -77.77 136.18 24.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 79.92 14.3 0.92 Allowed 'General case' 0 CA--C 1.483 -1.618 0 C-N-CA 125.645 1.578 . . . . 0.0 111.199 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.8 t70 -76.42 115.83 16.53 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' B' ' 4' ' ' SER . 27.2 tt0 -75.14 132.44 41.2 Favored 'General case' 0 N--CA 1.405 -2.677 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -124.97 158.56 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 C-N-CA 120.106 -0.638 . . . . 0.0 112.201 -174.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 47' ' ' VAL . 22.3 mtpp -94.45 109.79 21.63 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.198 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.18 98.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 170.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.41 122.59 40.64 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.77 128.51 45.86 Favored 'General case' 0 N--CA 1.389 -3.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.74 108.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.22 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 66.21 21.21 11.1 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.885 0.874 . . . . 0.0 111.496 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.461 ' O ' HD22 ' B' ' 25' ' ' LEU . . . 95.57 -14.96 64.1 Favored Glycine 0 C--N 1.303 -1.298 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.311 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -86.08 140.13 30.52 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.12 140.08 35.92 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.388 0.613 . . . . 0.0 110.531 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -118.28 137.4 52.36 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -113.51 107.57 23.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-O 121.869 0.842 . . . . 0.0 110.023 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -131.91 136.37 28.19 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -85.47 169.99 9.36 Favored 'Trans proline' 0 N--CA 1.407 -3.607 0 CA-C-N 120.251 1.125 . . . . 0.0 109.827 -176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' HG3' ' A' ' 34' ' ' LYS . 44.1 t . . . . . 0 C--N 1.274 -2.679 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 80.2 mt . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.58 128.5 53.64 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.259 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 75.4 m -142.55 -166.65 2.32 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.484 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 20.4 p -147.74 151.64 36.42 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.52 115.95 23.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.484 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 71.8 mmtt -107.19 172.76 6.65 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -104.28 120.37 41.03 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.123 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -109.03 95.05 5.38 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -124.08 8.69 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -101.7 21.4 14.52 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 117.181 0.491 . . . . 0.0 111.599 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.5 m -139.31 138.39 20.56 Favored Pre-proline 0 N--CA 1.415 -2.195 0 O-C-N 121.48 -0.763 . . . . 0.0 110.751 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.69 132.79 29.75 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 123.179 2.586 . . . . 0.0 111.567 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.1 140.05 47.44 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -110.0 129.96 64.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -76.17 127.88 33.82 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.409 0.443 . . . . 0.0 111.443 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.3 mm -94.98 127.94 41.02 Favored Pre-proline 0 C--N 1.307 -1.282 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 175.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.75 128.03 22.16 Favored 'Trans proline' 0 C--O 1.251 1.15 0 C-N-CA 121.953 1.768 . . . . 0.0 111.408 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.68 -30.43 43.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.918 0.887 . . . . 0.0 111.794 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.8 m -58.39 -39.57 80.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.769 0.827 . . . . 0.0 110.652 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.24 -33.41 38.01 Favored 'General case' 0 CA--C 1.473 -1.983 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.0 mmm -50.62 -52.62 37.75 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.272 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -67.9 -33.81 75.42 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.531 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.63 66.97 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.325 0.583 . . . . 0.0 111.339 -173.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 40' ' ' GLY . 85.5 mt -93.69 -6.04 47.17 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.596 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 62.58 28.16 16.54 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.369 1.067 . . . . 0.0 111.804 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -97.23 177.62 5.51 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.045 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . 0.502 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 0.1 OUTLIER -142.9 -173.55 3.93 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.407 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.3 mm -79.43 139.64 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 175.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 76.57 14.93 2.18 Favored 'General case' 0 CA--C 1.478 -1.811 0 C-N-CA 125.445 1.498 . . . . 0.0 111.283 -173.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 3.6 t70 -76.39 116.48 17.12 Favored 'General case' 0 CA--C 1.478 -1.799 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.95 131.91 39.9 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.83 154.8 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.383 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.406 ' HG3' HG23 ' B' ' 47' ' ' VAL . 22.4 mtpp -90.26 109.08 20.18 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.926 177.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.3 mp -91.26 100.28 10.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.91 122.55 41.17 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -101.06 126.83 47.77 Favored 'General case' 0 N--CA 1.384 -3.727 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.6 105.83 2.43 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.464 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.554 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 65.99 21.39 11.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.94 0.896 . . . . 0.0 111.806 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . 0.421 ' O ' HD22 ' A' ' 25' ' ' LEU . . . 94.61 -8.49 71.37 Favored Glycine 0 C--N 1.299 -1.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.527 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -92.07 140.8 29.28 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.16 145.34 28.92 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.318 0.58 . . . . 0.0 110.498 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.5 mm -124.14 136.33 60.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.3 mm -112.15 107.78 23.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 CA-C-O 121.894 0.854 . . . . 0.0 110.166 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -130.92 133.63 25.01 Favored Pre-proline 0 C--N 1.294 -1.84 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.7 169.32 9.34 Favored 'Trans proline' 0 N--CA 1.401 -3.931 0 C-N-CA 121.099 1.2 . . . . 0.0 109.676 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.406 HG23 ' HG3' ' B' ' 34' ' ' LYS . 43.2 t . . . . . 0 C--N 1.269 -2.909 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.6 mm . . . . . 0 N--CA 1.435 -1.199 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -88.13 83.68 6.97 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -174.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -109.1 -167.88 1.27 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.506 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -152.46 148.42 27.4 Favored 'General case' 0 N--CA 1.407 -2.612 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.78 125.39 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.23 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -120.38 164.68 15.99 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -95.21 116.18 28.41 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.197 0.522 . . . . 0.0 111.436 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -105.05 95.04 5.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.46 -120.7 7.75 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.02 30.74 6.09 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -136.08 124.1 15.06 Favored Pre-proline 0 N--CA 1.423 -1.824 0 O-C-N 121.372 -0.83 . . . . 0.0 110.218 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.608 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 18.3 Cg_endo -66.72 122.02 9.34 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.063 1.842 . . . . 0.0 109.899 172.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -122.08 141.65 51.17 Favored 'General case' 0 N--CA 1.422 -1.841 0 CA-C-O 121.117 0.484 . . . . 0.0 111.406 -175.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.11 127.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -79.0 125.17 29.03 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.602 0.564 . . . . 0.0 111.315 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 48.9 mm -98.3 135.58 21.22 Favored Pre-proline 0 C--N 1.305 -1.364 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.1 133.93 22.28 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.383 1.389 . . . . 0.0 109.618 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.02 67.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.477 0.655 . . . . 0.0 110.96 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -58.77 -41.03 85.62 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 123.681 0.792 . . . . 0.0 109.586 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 4.0 mm? -78.34 -33.35 49.16 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.192 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.597 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 82.0 mtp -51.83 -49.13 63.43 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 123.943 0.777 . . . . 0.0 109.688 173.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.8 -35.18 79.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.869 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -34.31 72.22 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.889 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 63.5 mt -94.14 -5.77 46.43 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.134 -178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 66.49 18.59 10.84 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 126.097 1.759 . . . . 0.0 113.029 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.92 166.91 11.94 Favored 'General case' 0 N--CA 1.428 -1.536 0 O-C-N 122.312 -0.242 . . . . 0.0 110.957 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -131.79 -178.38 4.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.935 0.397 . . . . 0.0 111.012 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -76.85 140.46 17.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 172.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t70 71.21 23.34 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.775 1.23 . . . . 0.0 108.964 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -99.36 140.11 34.02 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.36 134.41 35.57 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.191 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.37 150.92 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 33.7 mtmt -96.19 129.13 43.57 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.43 ' CG2' HD22 ' A' ' 42' ' ' LEU . 2.9 mp -99.71 98.24 6.8 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.628 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 165.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.85 130.9 44.73 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.1 tm? -89.62 130.57 35.9 Favored 'General case' 0 N--CA 1.403 -2.803 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.7 t -147.93 130.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.69 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 59.26 21.67 9.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 124.231 1.012 . . . . 0.0 113.353 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.03 21.33 79.94 Favored Glycine 0 C--N 1.301 -1.41 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.59 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 14.1 pttt -127.27 156.63 41.61 Favored 'General case' 0 C--O 1.249 1.042 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 176.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 35' ' ' ILE . 45.0 mt -93.14 133.0 36.77 Favored 'General case' 0 CA--C 1.476 -1.874 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.937 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.6 mm -112.41 136.06 49.84 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.275 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.637 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 mm -107.49 107.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 36.8 tt0 -130.26 124.98 21.6 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.1 Cg_endo -82.62 170.71 12.68 Favored 'Trans proline' 0 N--CA 1.421 -2.786 0 C-N-CA 122.055 1.837 . . . . 0.0 111.373 -173.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.279 -2.482 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.289 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mm . . . . . 0 N--CA 1.436 -1.149 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -89.79 83.46 6.21 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -174.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.4 m -106.89 -167.63 1.3 Allowed 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.602 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 147.35 24.58 Favored 'General case' 0 N--CA 1.406 -2.671 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.29 120.51 33.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -116.06 161.35 19.02 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.2 ttm180 -93.48 115.85 28.38 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -103.64 95.01 5.76 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.02 -120.08 7.08 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -105.56 20.59 18.64 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.727 0.775 . . . . 0.0 110.13 173.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -125.75 125.91 24.92 Favored Pre-proline 0 N--CA 1.419 -2.0 0 O-C-N 120.836 -1.165 . . . . 0.0 109.729 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.597 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 17.9 Cg_endo -68.05 124.85 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.148 1.899 . . . . 0.0 109.507 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -124.63 139.96 53.39 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.126 0.488 . . . . 0.0 111.765 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.23 128.67 63.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.2 121.49 26.68 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 123.734 0.646 . . . . 0.0 111.777 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.528 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.0 mm -94.82 134.69 24.6 Favored Pre-proline 0 C--N 1.303 -1.423 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.12 136.4 29.34 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 121.357 1.371 . . . . 0.0 110.037 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.196 0.522 . . . . 0.0 110.56 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -57.7 -43.97 85.52 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.945 0.878 . . . . 0.0 109.31 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 4.0 mm? -76.94 -32.75 57.56 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.608 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 83.1 mtp -52.62 -49.11 65.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 123.83 0.706 . . . . 0.0 109.702 173.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -67.68 -33.04 74.12 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.668 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.85 66.25 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.428 0.633 . . . . 0.0 110.731 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 21' ' ' LEU . 73.1 mt -95.35 -2.24 49.56 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.74 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 64.02 21.71 12.69 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.767 1.227 . . . . 0.0 112.819 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 pp -98.42 173.17 7.09 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 122.084 -0.385 . . . . 0.0 110.356 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -139.91 179.72 6.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.807 0.336 . . . . 0.0 110.965 -174.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -74.57 138.8 20.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 74.04 18.53 3.19 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.043 1.337 . . . . 0.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -93.9 141.93 27.96 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.95 131.67 35.35 Favored 'General case' 0 C--N 1.281 -2.404 0 C-N-CA 123.903 0.881 . . . . 0.0 109.438 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.17 150.18 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.073 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.428 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 36.3 mtmt -96.08 131.4 42.54 Favored 'General case' 0 N--CA 1.428 -1.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.823 175.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.404 ' CG2' HD22 ' B' ' 42' ' ' LEU . 3.1 mp -99.42 98.74 7.41 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.531 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 165.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -97.92 136.3 38.41 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.412 ' C ' HD13 ' B' ' 37' ' ' LEU . 3.1 tm? -94.24 130.48 40.48 Favored 'General case' 0 N--CA 1.4 -2.948 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -176.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 51.4 t -147.8 127.67 4.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.417 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 61.68 22.12 12.7 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.215 1.006 . . . . 0.0 111.58 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.83 18.65 79.64 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.831 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 21.3 pttt -124.43 157.8 34.3 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.404 HD22 ' CG2' ' B' ' 35' ' ' ILE . 87.7 mt -91.76 131.96 36.75 Favored 'General case' 0 CA--C 1.477 -1.836 0 CA-C-O 121.692 0.758 . . . . 0.0 110.366 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 32.8 mm -112.78 136.57 48.65 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.239 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.089 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -108.16 105.48 18.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 CA-C-O 121.762 0.792 . . . . 0.0 109.528 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 34.9 tt0 -128.28 124.91 23.16 Favored Pre-proline 0 N--CA 1.416 -2.134 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.6 Cg_endo -83.14 170.79 11.93 Favored 'Trans proline' 0 N--CA 1.415 -3.14 0 C-N-CA 121.866 1.711 . . . . 0.0 111.136 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.276 -2.627 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -178.59 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.443 -0.806 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -114.62 108.32 16.67 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.879 0.847 . . . . 0.0 111.26 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 38.5 m -120.1 -161.3 0.87 Allowed 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.918 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -148.39 149.19 31.32 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 118.395 0.543 . . . . 0.0 111.119 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.34 118.96 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.114 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -108.65 171.11 7.61 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -106.96 117.61 34.5 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.583 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -103.86 98.7 8.51 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.98 -120.52 8.7 Favored Glycine 0 N--CA 1.433 -1.523 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -107.6 26.17 10.6 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 117.153 0.476 . . . . 0.0 110.5 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 t -129.13 122.2 21.05 Favored Pre-proline 0 N--CA 1.402 -2.858 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -61.31 125.68 17.49 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 121.812 1.674 . . . . 0.0 108.726 170.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' B' ' 14' ' ' ALA . . . -128.13 136.93 51.83 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.027 0.441 . . . . 0.0 110.46 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.4 t -106.77 129.96 59.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -79.82 120.01 23.49 Favored 'General case' 0 N--CA 1.437 -1.086 0 O-C-N 123.717 0.636 . . . . 0.0 111.646 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.9 mm -97.98 128.01 35.19 Favored Pre-proline 0 C--N 1.301 -1.542 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.98 134.52 50.19 Favored 'Trans proline' 0 C--O 1.249 1.051 0 C-N-CA 121.416 1.411 . . . . 0.0 110.203 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.93 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.358 0.599 . . . . 0.0 110.222 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 m -59.69 -43.42 94.04 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.855 0.862 . . . . 0.0 110.099 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.3 -34.89 63.64 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 120.934 0.397 . . . . 0.0 111.314 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 86.0 mmm -52.39 -53.61 42.68 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.322 173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.71 -36.22 80.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.515 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.7 -28.23 61.63 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.037 -175.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 mt -104.05 5.02 35.0 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.148 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 68.65 23.16 7.24 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.348 1.059 . . . . 0.0 113.655 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.67 154.18 20.8 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-O 121.408 0.623 . . . . 0.0 110.455 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -123.85 -173.65 2.8 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.3 mm -75.68 139.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.249 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 81.55 18.21 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.792 2.037 . . . . 0.0 111.212 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.52 131.95 34.28 Favored 'General case' 0 C--O 1.252 1.216 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.415 ' O ' HG21 ' A' ' 47' ' ' VAL . 37.1 tt0 -69.74 136.53 51.06 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 124.135 0.897 . . . . 0.0 110.729 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 2.8 m -133.06 150.01 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 121.474 0.654 . . . . 0.0 110.785 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -95.47 125.15 39.88 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.614 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -102.54 104.64 16.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 172.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 40.3 m-20 -112.99 133.09 55.11 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 38' ' ' VAL . 1.5 tm? -89.16 127.55 35.74 Favored 'General case' 0 N--CA 1.385 -3.703 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 ' N ' HD13 ' A' ' 37' ' ' LEU . 58.1 t -143.4 118.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.074 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.38 22.35 10.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.61 10.94 56.28 Favored Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.255 -0.974 . . . . 0.0 113.21 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.65 160.41 31.7 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -96.76 113.93 25.53 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.391 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 35' ' ' ILE . 1.5 mp -95.4 116.09 36.07 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.087 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.62 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.19 105.02 17.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.812 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.218 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 44.4 tt0 -119.67 118.36 32.09 Favored Pre-proline 0 C--N 1.307 -1.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.78 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 5.6 Cg_endo -56.29 148.64 59.82 Favored 'Trans proline' 0 N--CA 1.436 -1.875 0 C-N-CA 124.139 3.226 . . . . 0.0 110.652 173.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 32' ' ' GLU . 20.3 t . . . . . 0 C--N 1.246 -3.934 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.286 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.219 -0.533 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 10.0 p80 -116.47 107.09 14.33 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.101 0.953 . . . . 0.0 111.81 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 53.0 m -115.92 -159.48 0.72 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.243 -1.344 . . . . 0.0 108.824 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.442 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 10.5 p -148.86 148.81 30.32 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -78.01 118.85 25.74 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.223 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.9 mmtt -107.37 172.88 6.58 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -107.77 118.79 37.67 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.437 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -105.86 96.93 6.83 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.56 -122.55 9.49 Favored Glycine 0 N--CA 1.434 -1.463 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -100.71 15.75 27.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 117.343 0.572 . . . . 0.0 111.104 174.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -124.14 126.25 25.61 Favored Pre-proline 0 N--CA 1.404 -2.736 0 O-C-N 121.705 -0.622 . . . . 0.0 109.786 -172.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -62.1 129.73 28.2 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.046 1.83 . . . . 0.0 108.786 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . . . -130.71 138.08 49.83 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -177.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.17 130.84 57.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -78.84 123.24 27.03 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.727 0.642 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 42.1 mm -102.44 128.22 28.72 Favored Pre-proline 0 C--N 1.301 -1.531 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -62.73 134.27 46.32 Favored 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 121.275 1.316 . . . . 0.0 110.257 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.71 68.13 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.958 0.503 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.2 m -60.91 -40.48 93.33 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.402 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.95 -35.17 59.78 Favored 'General case' 0 CA--C 1.48 -1.748 0 CA-C-O 120.847 0.356 . . . . 0.0 110.943 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -52.17 -53.05 47.84 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.387 173.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.1 -33.67 76.29 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.396 177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.6 66.21 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.386 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 mt -102.78 9.21 39.17 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.558 -176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 65.78 19.35 11.35 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.38 154.02 19.47 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.493 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.14 -178.66 4.03 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -68.38 142.19 16.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.51 23.93 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 126.111 1.764 . . . . 0.0 110.743 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -92.05 131.58 37.22 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 4' ' ' SER . 38.6 tt0 -70.68 134.91 47.94 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 124.234 0.958 . . . . 0.0 110.16 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.56 147.99 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.904 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -92.8 129.52 38.69 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.7 mp -106.46 104.08 16.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.498 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 39.3 m-20 -113.43 128.71 56.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.458 HD13 ' N ' ' B' ' 38' ' ' VAL . 1.6 tm? -85.95 126.28 33.99 Favored 'General case' 0 N--CA 1.392 -3.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.458 ' N ' HD13 ' B' ' 37' ' ' LEU . 57.0 t -142.4 119.97 7.39 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.173 -177.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.71 32.0 18.52 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 12.99 64.9 Favored Glycine 0 C--N 1.307 -1.038 0 C-N-CA 120.84 -0.695 . . . . 0.0 114.171 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.8 159.81 37.43 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.72 113.43 25.07 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.301 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' B' ' 35' ' ' ILE . 1.5 mp -94.74 116.17 35.4 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.177 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.855 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.97 105.53 18.87 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.175 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 48.8 tt0 -121.92 119.05 29.06 Favored Pre-proline 0 C--N 1.305 -1.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.582 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.1 Cg_endo -55.83 150.72 44.12 Favored 'Trans proline' 0 N--CA 1.436 -1.865 0 C-N-CA 124.118 3.212 . . . . 0.0 110.669 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.252 -3.665 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -177.132 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.434 -1.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -77.2 124.4 27.78 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 122.097 0.951 . . . . 0.0 111.319 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m -144.48 -168.05 2.8 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.246 175.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -150.96 154.53 37.28 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.69 107.87 10.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -105.85 166.21 10.64 Favored 'General case' 0 N--CA 1.412 -2.332 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -98.68 110.82 23.36 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 120.889 0.376 . . . . 0.0 111.336 -177.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -97.43 93.74 6.64 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.94 -118.28 4.93 Favored Glycine 0 N--CA 1.428 -1.879 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -111.11 26.97 10.13 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 116.944 0.372 . . . . 0.0 110.692 174.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -141.46 130.9 12.64 Favored Pre-proline 0 N--CA 1.43 -1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 110.194 -176.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.714 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 17.5 Cg_endo -62.2 131.26 33.65 Favored 'Trans proline' 0 C--O 1.24 0.587 0 C-N-CA 123.074 2.516 . . . . 0.0 112.122 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.36 41.46 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.909 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.98 137.52 43.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -78.67 130.08 35.44 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.834 0.708 . . . . 0.0 111.779 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.606 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -106.85 128.63 25.75 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 174.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.5 142.96 73.88 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.716 1.611 . . . . 0.0 110.815 176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -63.25 -28.03 69.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.097 0.475 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 m -59.38 -38.5 80.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.399 0.619 . . . . 0.0 110.438 175.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.96 -32.78 59.68 Favored 'General case' 0 CA--C 1.477 -1.854 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.021 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.704 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 84.7 mtp -54.98 -46.84 75.14 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.781 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 47.3 mt-30 -71.43 -25.74 62.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.342 -178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.67 -26.31 59.77 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.37 0.605 . . . . 0.0 110.473 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -110.45 4.45 20.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 58.29 23.7 10.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.702 1.201 . . . . 0.0 112.763 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -99.4 155.82 17.34 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-O 120.884 0.373 . . . . 0.0 110.432 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -124.4 -172.92 2.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.089 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.6 mm -76.43 142.73 13.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 77.9 13.03 1.76 Allowed 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.57 1.148 . . . . 0.0 112.58 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -83.76 125.65 32.12 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 143.7 43.47 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 123.657 0.598 . . . . 0.0 110.286 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.437 ' HA ' HG21 ' A' ' 47' ' ' VAL . 3.9 m -136.18 152.9 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.294 0 CA-C-O 121.41 0.624 . . . . 0.0 111.356 -175.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -103.26 119.34 38.68 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 113.91 -1.495 . . . . 0.0 109.97 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.45 97.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.84 128.78 45.14 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.5 124.67 35.18 Favored 'General case' 0 N--CA 1.385 -3.712 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 54.6 t -142.19 119.62 7.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.852 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.292 -174.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 65.51 22.69 11.83 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.402 1.096 . . . . 0.0 110.022 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.34 31.2 63.77 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.053 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HG3' ' OE2' ' B' ' 45' ' ' GLU . 22.5 ttmm -128.88 145.01 51.33 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -89.04 115.44 26.59 Favored 'General case' 0 CA--C 1.485 -1.539 0 CA-C-O 121.745 0.783 . . . . 0.0 110.532 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.47 109.24 25.94 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.549 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.209 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -101.89 106.86 20.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.788 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.727 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' OE2' ' HG3' ' B' ' 41' ' ' LYS . 26.1 mm-40 -111.98 141.96 25.86 Favored Pre-proline 0 C--N 1.287 -2.134 0 CA-C-N 113.857 -1.519 . . . . 0.0 107.813 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -85.35 169.13 9.89 Favored 'Trans proline' 0 N--CA 1.407 -3.563 0 N-CA-C 107.208 -1.882 . . . . 0.0 107.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG21 ' HA ' ' A' ' 33' ' ' VAL . 18.0 t . . . . . 0 C--N 1.253 -3.621 0 C-N-CA 117.445 -1.702 . . . . 0.0 109.091 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.444 -0.732 0 CA-C-O 120.799 0.333 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -78.19 120.61 23.23 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.173 0.987 . . . . 0.0 112.019 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.6 m -140.13 -165.57 1.93 Allowed 'General case' 0 C--N 1.268 -2.978 0 CA-C-N 114.277 -1.329 . . . . 0.0 107.598 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -152.12 154.46 35.93 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.62 109.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -106.12 167.43 9.81 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -102.45 106.81 17.61 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 -176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -91.77 94.24 9.25 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.64 -120.07 5.94 Favored Glycine 0 N--CA 1.425 -2.042 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -109.23 24.55 12.94 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.063 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -136.03 129.57 18.12 Favored Pre-proline 0 N--CA 1.427 -1.614 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.704 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 12.1 Cg_endo -62.85 131.25 32.26 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 122.848 2.366 . . . . 0.0 111.691 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.47 144.99 40.31 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.134 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.14 135.77 50.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -76.93 132.31 38.99 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 123.721 0.638 . . . . 0.0 111.595 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.574 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.3 mp -106.66 130.24 23.21 Favored Pre-proline 0 C--N 1.297 -1.698 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.32 139.06 53.28 Favored 'Trans proline' 0 C--O 1.249 1.066 0 C-N-CA 121.912 1.741 . . . . 0.0 110.866 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.04 66.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.256 0.551 . . . . 0.0 111.177 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -61.9 -38.4 88.25 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.98 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.65 -32.25 60.12 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.355 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.714 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.9 mtp -54.67 -47.99 72.91 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.093 173.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -70.58 -25.05 62.89 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.44 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.97 64.39 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.35 2.87 26.93 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.486 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 58.54 25.35 13.0 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.849 1.26 . . . . 0.0 113.219 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 pp -101.84 156.51 17.47 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -126.62 -169.91 2.11 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.29 144.77 11.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 75.18 14.31 3.08 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 124.737 1.215 . . . . 0.0 111.86 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -87.13 128.83 35.11 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.8 143.8 39.56 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 123.578 0.549 . . . . 0.0 110.916 -176.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.44 ' HA ' HG21 ' B' ' 47' ' ' VAL . 3.6 m -137.39 151.36 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.797 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -101.72 119.37 38.68 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.971 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.32 95.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.35 125.42 41.95 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.386 -3.639 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -140.27 121.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.213 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.043 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 64.27 21.67 12.59 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.11 0.957 . . . . 0.0 110.901 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.85 23.94 70.91 Favored Glycine 0 C--O 1.213 -1.209 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.438 ' HG3' ' OE2' ' A' ' 45' ' ' GLU . 22.3 ttmm -124.11 144.58 49.81 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 73.5 mt -86.66 114.18 23.14 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 121.577 0.703 . . . . 0.0 110.791 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -102.35 109.71 27.13 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.604 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.468 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.66 106.05 19.27 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.774 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.242 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.474 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 27.3 mm-40 -111.25 142.95 27.43 Favored Pre-proline 0 C--N 1.289 -2.062 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.52 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.1 169.99 9.85 Favored 'Trans proline' 0 N--CA 1.408 -3.543 0 N-CA-C 107.252 -1.865 . . . . 0.0 107.252 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.44 HG21 ' HA ' ' B' ' 33' ' ' VAL . 21.3 t . . . . . 0 C--N 1.256 -3.495 0 C-N-CA 117.308 -1.757 . . . . 0.0 109.11 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 N--CA 1.431 -1.408 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -95.62 95.89 8.66 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.913 0.863 . . . . 0.0 111.487 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -111.34 -164.19 0.9 Allowed 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.451 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.519 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 24.6 p -151.96 156.57 40.31 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.0 t -83.58 116.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -109.62 173.96 6.09 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -106.04 116.29 31.69 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -103.24 97.27 7.37 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.48 -117.27 4.93 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 -176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -114.9 29.41 8.05 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.967 -0.137 . . . . 0.0 111.133 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -137.49 134.47 18.54 Favored Pre-proline 0 N--CA 1.421 -1.905 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 Cg_endo -67.32 129.98 21.53 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.637 2.225 . . . . 0.0 111.228 175.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 140.02 39.33 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -106.15 136.41 40.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -79.57 121.82 25.73 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 123.711 0.632 . . . . 0.0 110.141 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.6 mp -99.85 129.41 28.67 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -66.76 136.65 42.78 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.216 1.944 . . . . 0.0 111.886 178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.0 -29.97 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.605 0.762 . . . . 0.0 111.228 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -57.54 -35.93 70.95 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 124.154 0.982 . . . . 0.0 111.082 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.49 -32.55 22.17 Favored 'General case' 0 CA--C 1.478 -1.803 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.425 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 83.6 mmm -53.68 -51.94 61.6 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.306 174.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 81.5 mt-30 -67.0 -34.46 77.8 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.991 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.08 79.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.381 0.61 . . . . 0.0 111.777 -174.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.45 4.85 24.74 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.936 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 50.78 63.02 2.4 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 126.256 1.823 . . . . 0.0 113.164 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 156.03 32.26 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -126.62 -178.77 4.49 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -71.7 142.75 15.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 79.89 10.97 1.25 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.333 1.853 . . . . 0.0 110.837 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.48 128.91 35.55 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.07 146.08 51.2 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 124.048 0.843 . . . . 0.0 111.583 -175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.46 151.35 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.36 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -95.08 112.44 24.15 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.044 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -92.13 100.18 10.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.23 136.9 42.98 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.78 140.48 32.1 Favored 'General case' 1 N--CA 1.373 -4.313 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -148.78 116.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 53.18 38.39 27.42 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.134 0.974 . . . . 0.0 112.597 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.5 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.036 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -124.5 148.93 47.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -92.38 105.25 17.48 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.093 0.949 . . . . 0.0 108.556 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.0 mm -100.29 105.86 18.32 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.18 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.269 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.77 108.69 21.78 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 42.8 tt0 -116.42 114.36 40.48 Favored Pre-proline 0 C--N 1.295 -1.8 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.172 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 12.2 Cg_endo -62.11 146.05 96.23 Favored 'Trans proline' 0 N--CA 1.423 -2.623 0 C-N-CA 123.436 2.757 . . . . 0.0 110.326 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.6 t . . . . . 0 C--N 1.259 -3.358 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -178.536 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mt . . . . . 0 N--CA 1.435 -1.223 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -94.32 97.39 10.19 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.72 0.771 . . . . 0.0 111.278 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -112.3 -162.54 0.8 Allowed 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.533 -1.212 . . . . 0.0 107.84 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.571 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 11.9 p -153.57 155.64 36.51 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.41 119.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.571 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.4 mmtt -113.46 170.73 8.02 Favored 'General case' 0 C--N 1.278 -2.539 0 C-N-CA 120.031 -0.668 . . . . 0.0 109.326 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -102.47 116.89 33.54 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.059 0.457 . . . . 0.0 111.406 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -106.67 98.58 8.23 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.1 -121.95 7.29 Favored Glycine 0 N--CA 1.428 -1.867 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -111.23 30.63 6.74 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 117.292 0.546 . . . . 0.0 111.413 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -133.87 132.73 21.64 Favored Pre-proline 0 N--CA 1.412 -2.372 0 O-C-N 121.854 -0.529 . . . . 0.0 109.88 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.477 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.5 Cg_endo -66.78 129.25 20.54 Favored 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.447 2.098 . . . . 0.0 110.876 173.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.15 140.2 41.69 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -106.51 136.79 39.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -80.8 120.87 25.23 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.502 0.502 . . . . 0.0 110.431 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.5 mp -98.74 128.91 31.21 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -65.87 137.13 47.98 Favored 'Trans proline' 0 C--O 1.25 1.094 0 C-N-CA 121.985 1.79 . . . . 0.0 111.655 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.83 -29.68 68.42 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.446 0.698 . . . . 0.0 110.907 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.4 m -58.65 -34.19 70.92 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.122 0.969 . . . . 0.0 110.909 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.61 -32.02 20.84 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 121.157 0.503 . . . . 0.0 110.397 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -54.03 -51.06 65.19 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.272 173.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 80.3 mt-30 -67.64 -32.83 73.79 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.044 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.28 80.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.44 0.638 . . . . 0.0 111.97 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.86 4.8 23.89 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.241 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 50.52 60.97 3.47 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 125.647 1.579 . . . . 0.0 113.049 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.19 154.59 33.11 Favored 'General case' 0 N--CA 1.396 -3.138 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -129.2 -175.6 3.61 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.01 138.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 77.5 19.18 1.25 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.971 1.708 . . . . 0.0 110.854 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -90.11 128.56 36.35 Favored 'General case' 0 C--O 1.25 1.104 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.89 146.77 45.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 123.616 0.572 . . . . 0.0 110.778 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.24 150.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.45 113.35 25.6 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.1 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.74 102.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 171.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.32 138.12 44.11 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.94 139.59 33.55 Favored 'General case' 0 N--CA 1.38 -3.968 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -146.34 112.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.273 -2.761 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 53.9 40.95 32.13 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.045 0.938 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.65 36.76 83.7 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.321 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -128.47 148.62 50.74 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -91.53 103.97 16.52 Favored 'General case' 0 CA--C 1.488 -1.431 0 CA-C-O 121.924 0.868 . . . . 0.0 109.24 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.5 mm -99.91 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.823 0 CA-C-N 114.338 -1.301 . . . . 0.0 108.447 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.77 108.2 20.74 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.6 tt0 -116.19 113.43 41.39 Favored Pre-proline 0 C--N 1.297 -1.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.719 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 12.1 Cg_endo -61.73 149.37 90.26 Favored 'Trans proline' 0 N--CA 1.428 -2.363 0 C-N-CA 123.459 2.772 . . . . 0.0 110.071 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.261 -3.247 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.622 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.7 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -84.48 120.9 26.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.493 ' OG ' HG23 ' B' ' 33' ' ' VAL . 84.5 p -109.96 -153.93 0.53 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.377 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -157.48 133.86 9.72 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.5 t -88.29 119.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.16 167.58 10.7 Favored 'General case' 0 C--N 1.275 -2.645 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -102.24 121.6 42.56 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.372 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -113.52 101.98 9.86 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.49 -120.64 6.56 Favored Glycine 0 N--CA 1.414 -2.804 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -103.06 17.33 24.31 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.641 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 p -137.31 137.11 21.6 Favored Pre-proline 0 N--CA 1.411 -2.423 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.79 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.02 121.3 9.59 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 122.81 2.34 . . . . 0.0 109.882 170.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.7 134.17 48.39 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-O 121.29 0.567 . . . . 0.0 109.612 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.37 139.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -84.0 104.43 14.07 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -88.05 133.04 38.03 Favored Pre-proline 0 C--N 1.308 -1.232 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 126.72 19.99 Favored 'Trans proline' 0 C--O 1.251 1.135 0 C-N-CA 121.941 1.761 . . . . 0.0 110.731 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -60.74 -25.19 66.29 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.272 0.629 . . . . 0.0 110.405 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -55.87 -36.33 67.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.458 1.103 . . . . 0.0 110.789 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.96 -34.49 29.74 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mmm -55.57 -48.29 75.02 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.054 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 96.8 mt-30 -63.56 -37.2 86.41 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.06 175.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.23 -35.11 75.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.489 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 mt -99.04 1.25 45.15 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.403 0.621 . . . . 0.0 111.311 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 67.01 27.36 8.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 173.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.09 160.51 14.26 Favored 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.03 179.45 5.03 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.085 -0.385 . . . . 0.0 110.194 -178.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.1 mm -72.78 142.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 79.77 14.59 0.93 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 125.299 1.44 . . . . 0.0 112.101 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' B' ' 5' ' ' SER . 12.5 t0 -91.97 173.21 7.96 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 175.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 4' ' ' SER . 30.3 tt0 -118.78 135.41 54.53 Favored 'General case' 0 C--N 1.271 -2.834 0 C-N-CA 124.017 0.927 . . . . 0.0 109.6 -173.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.519 HG23 ' OG ' ' B' ' 4' ' ' SER . 1.5 m -129.22 157.86 41.95 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 C-N-CA 119.548 -0.861 . . . . 0.0 111.273 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -99.64 123.0 43.48 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.506 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.35 112.32 31.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -124.83 126.36 45.47 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -87.99 131.93 34.44 Favored 'General case' 0 N--CA 1.383 -3.808 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.02 108.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.052 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 63.42 26.82 15.05 Favored 'General case' 0 N--CA 1.507 2.388 0 CA-C-O 122.768 1.27 . . . . 0.0 110.876 174.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.48 7.28 82.51 Favored Glycine 0 C--N 1.303 -1.303 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.41 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -102.59 141.72 34.94 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.4 mt -91.5 104.61 17.09 Favored 'General case' 0 CA--C 1.48 -1.713 0 CA-C-O 122.047 0.927 . . . . 0.0 109.168 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -97.9 107.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.856 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.29 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.58 124.95 54.46 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.104 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.819 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -130.05 148.49 69.88 Favored Pre-proline 0 C--N 1.293 -1.854 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.72 165.98 6.14 Favored 'Trans proline' 1 N--CA 1.4 -4.022 0 N-CA-C 109.167 -1.128 . . . . 0.0 109.167 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 33' ' ' VAL . 11.2 t . . . . . 0 C--N 1.254 -3.578 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 64.9 mt . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -85.47 121.71 28.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.401 0.619 . . . . 0.0 110.775 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.519 ' OG ' HG23 ' A' ' 33' ' ' VAL . 62.3 p -111.19 -154.8 0.55 Allowed 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.304 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 50.9 m -156.01 134.59 11.69 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 173.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.54 116.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.57 166.62 11.34 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -102.51 124.51 48.19 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.999 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 16.3 t90 -114.79 101.1 8.74 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.79 -121.09 8.43 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 108.633 -1.787 . . . . 0.0 108.633 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -102.39 20.7 16.45 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 56.6 p -140.03 136.22 17.0 Favored Pre-proline 0 N--CA 1.414 -2.226 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.694 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -59.37 123.23 12.95 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.832 2.355 . . . . 0.0 109.783 171.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.81 133.09 46.74 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.686 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.88 138.67 27.44 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.105 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -84.08 106.08 15.44 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -87.8 134.36 35.68 Favored Pre-proline 0 C--N 1.304 -1.395 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.41 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.52 124.03 13.89 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.143 1.895 . . . . 0.0 111.033 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.46 -25.69 64.6 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.654 0.782 . . . . 0.0 110.827 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -56.06 -36.09 67.67 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.47 0.708 . . . . 0.0 110.943 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.21 -34.77 32.02 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.132 0.492 . . . . 0.0 110.972 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.4 mmm -55.13 -48.91 73.0 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.206 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 96.7 mt-30 -61.93 -39.63 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.163 -1.381 . . . . 0.0 110.55 175.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.07 83.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.829 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.3 mt -94.54 -3.41 49.85 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.411 0.624 . . . . 0.0 111.552 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 63.46 54.72 1.9 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 125.03 1.332 . . . . 0.0 113.881 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 158.02 34.73 Favored 'General case' 0 N--CA 1.403 -2.817 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -125.28 -179.25 4.51 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.19 143.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 78.74 15.87 1.12 Allowed 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.398 1.479 . . . . 0.0 111.944 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -94.75 167.07 11.67 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 4' ' ' SER . 38.0 tt0 -110.04 137.17 48.18 Favored 'General case' 0 C--N 1.268 -2.976 0 C-N-CA 123.461 0.704 . . . . 0.0 110.129 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.493 HG23 ' OG ' ' A' ' 4' ' ' SER . 1.7 m -130.51 155.63 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.014 -0.675 . . . . 0.0 110.584 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.432 ' HZ2' ' HB2' ' B' ' 34' ' ' LYS . 9.7 mtmp? -97.1 130.64 44.35 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -104.71 111.31 33.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.98 132.5 56.63 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.005 0.431 . . . . 0.0 110.72 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.82 125.88 39.78 Favored 'General case' 1 N--CA 1.378 -4.04 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 49.9 t -142.05 107.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.179 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 64.68 31.06 12.27 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 122.642 1.211 . . . . 0.0 110.372 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.46 11.1 85.23 Favored Glycine 0 C--N 1.31 -0.9 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.476 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -106.12 142.18 36.24 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -91.5 105.18 17.56 Favored 'General case' 0 CA--C 1.483 -1.633 0 CA-C-O 121.844 0.83 . . . . 0.0 109.58 175.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 36.7 mm -98.8 106.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.353 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.8 124.19 54.26 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.169 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.867 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -128.98 148.05 67.34 Favored Pre-proline 0 C--N 1.294 -1.844 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -87.05 168.59 7.78 Favored 'Trans proline' 1 N--CA 1.4 -4.005 0 N-CA-C 108.8 -1.269 . . . . 0.0 108.8 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.7 t . . . . . 0 C--N 1.257 -3.446 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -86.09 134.65 33.81 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.874 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.4 m -149.54 -164.99 2.16 Favored 'General case' 0 C--N 1.286 -2.188 0 C-N-CA 124.385 1.074 . . . . 0.0 108.236 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.454 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 15.8 p -150.19 160.65 43.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 118.236 0.471 . . . . 0.0 110.201 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.9 t -89.49 123.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 74.9 mmtt -110.99 175.84 5.26 Favored 'General case' 0 C--N 1.271 -2.824 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -107.22 119.64 39.94 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.998 -0.439 . . . . 0.0 109.905 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -114.18 97.96 6.66 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -129.39 17.17 Favored Glycine 0 N--CA 1.425 -2.064 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -96.92 18.16 15.25 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.068 0.461 . . . . 0.0 109.988 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 p -129.08 130.42 23.41 Favored Pre-proline 0 N--CA 1.416 -2.154 0 O-C-N 120.841 -1.162 . . . . 0.0 111.414 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.84 124.69 14.99 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.616 2.211 . . . . 0.0 109.707 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.97 138.06 41.91 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.205 0.526 . . . . 0.0 110.537 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.61 139.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -83.84 104.94 14.35 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 123.44 0.462 . . . . 0.0 109.893 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 mp -87.0 130.55 47.84 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.59 132.56 46.47 Favored 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.341 2.027 . . . . 0.0 111.545 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.488 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 m -56.22 -40.85 74.72 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.294 0.637 . . . . 0.0 110.13 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.16 -36.03 61.56 Favored 'General case' 0 CA--C 1.483 -1.632 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mmm -53.46 -46.55 69.96 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.776 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -71.77 -28.92 63.96 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.608 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -28.34 57.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.055 0.455 . . . . 0.0 111.579 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.7 mt -100.46 -10.37 21.18 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.643 0.735 . . . . 0.0 109.969 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.5 67.49 0.77 Allowed 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.761 1.624 . . . . 0.0 113.294 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.4 pt? -134.42 164.16 28.05 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 114.193 -1.367 . . . . 0.0 107.727 172.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.11 -177.13 4.17 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.1 mm -66.34 140.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-O 121.291 0.567 . . . . 0.0 110.581 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t0 73.67 20.02 3.12 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 126.821 2.048 . . . . 0.0 111.299 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -90.14 146.87 23.96 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.68 136.2 33.46 Favored 'General case' 0 C--N 1.267 -3.006 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.355 -172.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.463 ' HA ' HG21 ' A' ' 47' ' ' VAL . 4.0 m -130.28 157.96 42.74 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.105 -178.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -102.31 133.97 46.35 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.208 174.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.35 100.31 10.16 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 169.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -100.83 135.16 42.71 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 38' ' ' VAL . 2.5 tm? -99.36 129.52 45.57 Favored 'General case' 0 N--CA 1.388 -3.551 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' N ' HD12 ' A' ' 37' ' ' LEU . 86.1 t -144.15 119.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.49 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 58.11 21.12 7.61 Favored 'General case' 0 N--CA 1.508 2.473 0 C-N-CA 124.977 1.311 . . . . 0.0 113.013 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.38 11.75 66.18 Favored Glycine 0 C--N 1.295 -1.738 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.213 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.88 154.35 34.48 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 117.988 0.894 . . . . 0.0 109.212 172.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.5 mt -89.02 115.7 26.77 Favored 'General case' 0 CA--C 1.482 -1.663 0 CA-C-O 121.744 0.783 . . . . 0.0 109.516 -178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.7 mm -103.25 102.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.218 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.096 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -100.85 104.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.978 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.822 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -111.93 136.17 21.23 Favored Pre-proline 0 C--N 1.278 -2.526 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -79.35 168.12 20.46 Favored 'Trans proline' 0 N--CA 1.413 -3.219 0 C-N-CA 120.774 0.983 . . . . 0.0 109.624 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 33' ' ' VAL . 21.4 t . . . . . 0 C--N 1.263 -3.154 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 N--CA 1.43 -1.44 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -85.02 134.37 34.22 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.304 0.573 . . . . 0.0 110.707 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 39.7 m -145.66 -165.46 2.2 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 124.34 1.056 . . . . 0.0 108.808 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.538 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 15.3 p -149.39 153.79 37.91 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-O 120.722 0.296 . . . . 0.0 110.553 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 43.4 t -85.58 122.52 38.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.538 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 75.7 mmtt -110.66 176.38 5.06 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -109.13 119.73 40.4 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.785 -0.572 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -113.37 96.89 6.14 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.94 -129.29 11.66 Favored Glycine 0 N--CA 1.42 -2.383 0 N-CA-C 107.919 -2.072 . . . . 0.0 107.919 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -95.85 11.14 34.77 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-O 120.989 0.423 . . . . 0.0 110.73 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 59.0 p -120.84 130.1 25.01 Favored Pre-proline 0 N--CA 1.418 -2.067 0 O-C-N 120.683 -1.261 . . . . 0.0 111.747 -175.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -60.97 125.7 17.76 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.632 2.222 . . . . 0.0 109.887 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.64 139.42 40.27 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.16 0.505 . . . . 0.0 110.403 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.87 138.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -83.14 105.67 14.31 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.25 131.02 45.62 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -60.53 130.97 35.73 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 122.277 1.985 . . . . 0.0 111.696 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.85 68.02 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.432 0.693 . . . . 0.0 110.932 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -57.8 -39.07 76.67 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.304 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.46 -35.26 53.99 Favored 'General case' 0 CA--C 1.484 -1.562 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 82.4 mmm -54.17 -46.56 72.35 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.82 -35.3 78.38 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.533 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.27 69.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.479 0.656 . . . . 0.0 111.965 -175.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 77.4 mt -93.37 -13.31 28.22 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.952 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 t30 66.05 66.57 0.49 Allowed 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.756 1.623 . . . . 0.0 112.368 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.4 pt? -134.11 165.2 25.62 Favored 'General case' 0 N--CA 1.404 -2.726 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.533 172.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.92 -178.71 4.5 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 123.558 0.743 . . . . 0.0 109.262 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.96 142.86 15.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.4 t70 78.56 7.72 2.25 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.583 1.953 . . . . 0.0 111.669 177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -82.77 139.73 33.42 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -79.85 134.82 36.34 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.011 -173.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.419 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.8 m -131.2 154.63 40.94 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 34' ' ' LYS . 41.1 mtmt -101.04 137.05 39.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 120.871 0.367 . . . . 0.0 110.47 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -104.83 99.55 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.071 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 170.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -100.31 139.7 35.6 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 38' ' ' VAL . 2.1 tm? -102.75 130.16 49.62 Favored 'General case' 0 N--CA 1.383 -3.796 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.449 ' N ' HD12 ' B' ' 37' ' ' LEU . 87.3 t -145.54 119.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.943 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 57.71 21.08 6.97 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 125.424 1.49 . . . . 0.0 113.831 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.71 14.59 65.04 Favored Glycine 0 C--N 1.286 -2.231 0 C-N-CA 119.324 -1.417 . . . . 0.0 113.085 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.79 35.4 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 117.674 0.737 . . . . 0.0 109.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -88.96 115.93 26.87 Favored 'General case' 0 CA--C 1.478 -1.804 0 CA-C-O 121.834 0.826 . . . . 0.0 110.137 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 24.9 mm -103.34 101.73 12.63 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.24 0 CA-C-N 114.275 -1.33 . . . . 0.0 107.836 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 59.2 mt -100.07 104.64 16.4 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.888 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.823 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -112.72 136.04 21.58 Favored Pre-proline 0 C--N 1.279 -2.462 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -79.18 168.73 20.01 Favored 'Trans proline' 0 N--CA 1.418 -2.961 0 C-N-CA 121.003 1.135 . . . . 0.0 109.496 -176.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.2 t . . . . . 0 C--N 1.262 -3.201 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.649 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.2 mt . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -102.38 137.45 40.61 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 m -153.77 -165.6 2.17 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -144.4 154.88 43.44 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.95 122.17 32.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -113.78 167.69 10.42 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HE ' HG13 ' B' ' 29' ' ' ILE . 16.4 ttm180 -103.6 116.56 32.58 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -173.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -105.31 97.7 7.51 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.14 -130.09 11.12 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -98.3 17.67 18.19 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 117.289 0.544 . . . . 0.0 111.117 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -128.04 134.84 26.67 Favored Pre-proline 0 N--CA 1.413 -2.308 0 O-C-N 121.459 -0.776 . . . . 0.0 110.702 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.2 Cg_endo -68.21 134.63 32.0 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.111 2.541 . . . . 0.0 112.471 176.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.0 143.5 40.64 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.0 t -102.68 131.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -84.92 131.05 34.55 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.443 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 mp -112.13 134.8 21.37 Favored Pre-proline 0 C--N 1.301 -1.509 0 C-N-CA 122.997 0.519 . . . . 0.0 109.92 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -68.15 137.98 42.16 Favored 'Trans proline' 0 C--O 1.25 1.112 0 C-N-CA 121.845 1.697 . . . . 0.0 111.35 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.17 -26.2 64.58 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 121.192 0.52 . . . . 0.0 111.035 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -59.44 -39.96 85.26 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 123.54 0.736 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.16 -34.77 56.35 Favored 'General case' 0 CA--C 1.48 -1.724 0 CA-C-O 121.143 0.497 . . . . 0.0 110.744 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.445 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 83.2 mmm -55.86 -47.65 76.94 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.684 174.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.3 mt-30 -65.94 -34.13 77.41 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.86 174.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.05 71.65 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.589 0.709 . . . . 0.0 111.365 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.51 -7.24 44.86 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.023 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.48 66.27 0.88 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.821 1.248 . . . . 0.0 112.987 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -135.18 164.51 27.53 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.022 171.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.94 -169.87 2.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.4 mm -71.41 138.55 21.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.295 3.8 m-20 83.27 8.01 0.68 Allowed 'General case' 0 CA--C 1.489 -1.374 0 C-N-CA 126.084 1.754 . . . . 0.0 114.533 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.26 125.05 28.7 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' B' ' 4' ' ' SER . 35.7 tt0 -67.21 137.06 55.92 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.443 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.62 152.77 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-O 121.245 0.545 . . . . 0.0 110.762 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -95.94 113.03 24.61 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.795 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.95 97.4 6.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.674 -1.972 . . . . 0.0 105.674 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.5 130.87 55.48 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 38' ' ' VAL . 1.9 tm? -85.91 125.4 33.31 Favored 'General case' 0 N--CA 1.394 -3.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' N ' HD12 ' A' ' 37' ' ' LEU . 99.6 t -144.87 121.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.971 -176.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 59.72 32.88 21.67 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.511 1.148 . . . . 0.0 111.231 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.38 2.42 87.52 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.043 -0.981 . . . . 0.0 114.147 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.23 164.2 21.5 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 118.216 1.008 . . . . 0.0 111.122 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.46 124.54 37.52 Favored 'General case' 0 CA--C 1.482 -1.664 0 CA-C-O 121.656 0.741 . . . . 0.0 109.29 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.1 mm -103.49 123.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.251 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.977 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -104.03 105.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -116.25 147.24 39.03 Favored Pre-proline 0 C--N 1.293 -1.865 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -89.82 164.05 5.05 Favored 'Trans proline' 0 N--CA 1.401 -3.954 0 C-N-CA 120.991 1.127 . . . . 0.0 110.199 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.253 -3.608 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 178.112 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 62.6 mt . . . . . 0 N--CA 1.434 -1.27 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -97.44 136.75 37.43 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 120.995 0.426 . . . . 0.0 110.255 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 64.3 m -153.35 -165.9 2.28 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -147.61 150.12 33.83 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.1 118.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -110.63 167.91 9.86 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -102.75 116.68 33.06 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -106.17 95.99 6.16 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.29 -125.53 7.03 Favored Glycine 0 N--CA 1.424 -2.166 0 N-CA-C 108.686 -1.766 . . . . 0.0 108.686 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -109.19 28.65 8.29 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-N 117.259 0.529 . . . . 0.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -141.16 141.39 23.47 Favored Pre-proline 0 N--CA 1.409 -2.478 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.445 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 29.4 Cg_endo -72.89 136.07 24.5 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 123.464 2.776 . . . . 0.0 112.925 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.97 43.22 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.041 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 78.3 t -101.04 131.59 48.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -85.66 129.31 34.86 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.896 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -110.09 136.72 20.44 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 122.861 0.464 . . . . 0.0 109.869 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.13 139.48 39.06 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.032 1.822 . . . . 0.0 111.146 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.34 -24.45 67.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.91 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -57.33 -42.87 82.75 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.606 0.763 . . . . 0.0 110.086 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.22 -33.37 59.24 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.398 0.618 . . . . 0.0 110.964 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.424 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 85.1 mmm -56.72 -47.26 80.36 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.704 174.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -65.05 -37.46 87.64 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.261 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.73 81.21 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.421 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 65.3 mt -96.17 -7.44 35.8 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.715 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t30 61.89 65.99 0.86 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.206 1.403 . . . . 0.0 113.252 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -134.56 165.02 26.17 Favored 'General case' 0 N--CA 1.409 -2.508 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.629 172.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.3 -166.3 1.78 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.469 HG13 ' HE ' ' A' ' 8' ' ' ARG . 51.1 mm -74.97 140.44 17.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . 0.286 7.9 m-20 82.76 5.04 0.97 Allowed 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 125.563 1.545 . . . . 0.0 114.218 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.37 122.43 23.75 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -70.44 136.21 49.34 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.683 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.53 151.55 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.53 0 CA-C-O 121.063 0.458 . . . . 0.0 110.771 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -93.03 115.57 28.23 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.452 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.83 97.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.9 132.38 54.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -175.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.421 HD12 ' N ' ' B' ' 38' ' ' VAL . 1.9 tm? -85.7 125.08 32.92 Favored 'General case' 0 N--CA 1.386 -3.648 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 177.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.421 ' N ' HD12 ' B' ' 37' ' ' LEU . 60.9 t -145.9 122.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.271 -176.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 59.9 27.77 17.17 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.603 1.161 . . . . 0.0 111.134 175.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.36 8.4 77.92 Favored Glycine 0 C--N 1.306 -1.104 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.726 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 164.24 23.85 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 117.709 0.754 . . . . 0.0 110.426 175.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -93.52 122.18 35.69 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 121.603 0.715 . . . . 0.0 109.616 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 28.4 mm -101.79 122.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.28 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.225 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.4 105.78 18.71 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -116.98 146.09 37.11 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -87.7 168.52 7.02 Favored 'Trans proline' 0 N--CA 1.402 -3.86 0 C-N-CA 120.968 1.112 . . . . 0.0 109.823 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.258 -3.413 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 177.623 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 N--CA 1.442 -0.875 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -94.55 143.2 26.62 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 m -152.65 -170.18 3.56 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 123.066 0.547 . . . . 0.0 109.78 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.537 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 16.8 p -152.61 154.93 36.35 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-O 120.826 0.346 . . . . 0.0 111.243 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.26 121.7 40.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 72.4 mmtt -116.57 165.79 12.84 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -100.03 117.64 34.74 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.213 0.53 . . . . 0.0 111.719 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -104.75 95.15 5.69 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.44 -116.66 6.27 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -175.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -109.6 27.93 9.07 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.87 0.335 . . . . 0.0 110.903 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -133.77 128.12 19.71 Favored Pre-proline 0 N--CA 1.411 -2.393 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.619 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 29.5 Cg_endo -70.21 125.76 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.05 1.833 . . . . 0.0 109.457 172.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.66 142.92 46.99 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.051 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -112.01 140.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.87 121.14 28.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.11 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.51 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -94.85 135.41 23.75 Favored Pre-proline 0 C--N 1.305 -1.357 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -67.61 137.89 43.83 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 121.424 1.416 . . . . 0.0 110.049 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.05 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.158 0.504 . . . . 0.0 111.17 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -56.45 -38.92 72.32 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 123.896 0.878 . . . . 0.0 110.399 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.9 mm? -76.22 -34.78 59.25 Favored 'General case' 0 CA--C 1.474 -1.958 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.167 -178.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.623 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 80.7 mtp -54.01 -48.73 70.15 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.078 174.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.91 -31.98 72.12 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.084 -1.417 . . . . 0.0 110.773 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 -32.42 62.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.19 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 66.5 mt -93.57 -16.3 24.54 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.586 -177.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.68 61.15 0.55 Allowed 'General case' 0 C--O 1.242 0.678 0 C-N-CA 126.201 1.8 . . . . 0.0 110.962 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.82 155.87 49.88 Favored 'General case' 0 N--CA 1.409 -2.501 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.893 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -121.78 -175.42 3.09 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.939 0.4 . . . . 0.0 110.895 -176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.8 mm -69.81 140.96 17.79 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 72.39 22.09 3.55 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 125.707 1.603 . . . . 0.0 109.734 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -94.39 144.47 25.52 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.03 133.37 33.6 Favored 'General case' 0 C--N 1.278 -2.501 0 C-N-CA 123.919 0.888 . . . . 0.0 109.704 -173.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.447 ' HA ' HG21 ' A' ' 47' ' ' VAL . 4.2 m -126.44 157.66 36.92 Favored 'Isoleucine or valine' 0 C--O 1.247 0.974 0 CA-C-O 120.93 0.395 . . . . 0.0 110.476 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -102.78 122.85 45.33 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.441 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.96 108.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -115.37 142.37 46.79 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 38' ' ' VAL . 1.6 tm? -99.97 126.5 46.15 Favored 'General case' 0 N--CA 1.386 -3.632 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' N ' HD13 ' A' ' 37' ' ' LEU . 22.0 t -147.89 132.42 10.03 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.16 22.18 13.25 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.504 1.121 . . . . 0.0 110.599 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.25 68.81 Favored Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.676 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' B' ' 44' ' ' ILE . 15.6 pttt -141.08 163.65 32.38 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 117.489 0.645 . . . . 0.0 110.299 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.428 ' HG ' HD11 ' B' ' 25' ' ' LEU . 55.6 mt -86.61 131.68 34.09 Favored 'General case' 0 CA--C 1.476 -1.868 0 CA-C-O 122.183 0.992 . . . . 0.0 110.396 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -117.39 128.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.631 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.186 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 37.9 mm -113.52 104.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-O 121.506 0.67 . . . . 0.0 109.327 -174.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -118.16 132.31 23.79 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.71 170.27 20.2 Favored 'Trans proline' 0 N--CA 1.427 -2.426 0 C-N-CA 121.072 1.181 . . . . 0.0 111.022 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.447 HG21 ' HA ' ' A' ' 33' ' ' VAL . 21.8 t . . . . . 0 C--N 1.274 -2.684 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.6 mt . . . . . 0 C--O 1.219 -0.547 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -105.01 138.46 41.18 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -145.88 -165.7 2.27 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.898 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.435 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.4 p -154.66 153.99 32.23 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.997 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.88 118.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.435 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.4 mmtt -113.41 168.39 9.78 Favored 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -101.61 121.39 41.91 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.301 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -108.9 97.95 7.51 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.49 -116.95 5.99 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -113.08 30.42 7.2 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 120.801 0.334 . . . . 0.0 110.121 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -133.71 129.35 20.32 Favored Pre-proline 0 N--CA 1.408 -2.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.623 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 32.5 Cg_endo -71.32 127.07 12.92 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.161 1.908 . . . . 0.0 109.57 172.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.67 141.26 44.96 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.924 0.392 . . . . 0.0 110.222 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 p -110.25 139.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -85.01 123.27 30.36 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.005 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.526 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mp -97.45 134.23 22.83 Favored Pre-proline 0 C--N 1.31 -1.123 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -67.32 134.75 34.51 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 121.265 1.31 . . . . 0.0 109.971 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -60.32 -28.27 68.0 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.315 0.579 . . . . 0.0 111.195 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.7 m -59.52 -36.25 75.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.206 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 3.9 mm? -77.49 -35.33 53.75 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.619 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.8 mtp -52.79 -48.29 66.97 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.589 0.709 . . . . 0.0 109.186 173.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 89.3 mt-30 -68.85 -28.69 66.95 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.43 55.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.051 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 21' ' ' LEU . 73.7 mt -93.7 -21.03 19.6 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.325 0.583 . . . . 0.0 110.025 -178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 t30 70.82 61.01 0.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 126.013 1.725 . . . . 0.0 110.806 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -135.03 157.2 47.55 Favored 'General case' 0 N--CA 1.401 -2.901 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.37 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -125.12 -175.17 3.23 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.522 0.201 . . . . 0.0 110.749 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -72.06 138.55 21.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 74.21 24.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.699 1.6 . . . . 0.0 109.713 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.04 143.21 29.57 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.32 135.43 35.2 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.198 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' B' ' 47' ' ' VAL . 3.5 m -129.62 155.66 41.49 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -101.3 123.66 45.76 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 mm -101.34 107.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -114.57 144.27 43.66 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.46 HD13 ' N ' ' B' ' 38' ' ' VAL . 1.7 tm? -102.7 126.79 49.93 Favored 'General case' 0 N--CA 1.385 -3.702 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.46 ' N ' HD13 ' B' ' 37' ' ' LEU . 46.8 t -147.93 133.82 11.95 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 61.36 22.12 12.56 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.714 1.205 . . . . 0.0 111.569 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 26.15 65.92 Favored Glycine 0 N--CA 1.437 -1.27 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.614 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 18.2 pttt -141.78 163.19 33.56 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 117.06 0.43 . . . . 0.0 110.179 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 25' ' ' LEU . 65.9 mt -85.87 129.63 34.78 Favored 'General case' 0 CA--C 1.475 -1.928 0 CA-C-O 121.914 0.864 . . . . 0.0 110.711 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 40.7 mm -115.02 129.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.493 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 41.6 mm -114.05 104.57 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -118.3 131.25 24.3 Favored Pre-proline 0 C--N 1.286 -2.157 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.97 169.04 22.94 Favored 'Trans proline' 0 N--CA 1.426 -2.458 0 C-N-CA 121.043 1.162 . . . . 0.0 111.341 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' B' ' 33' ' ' VAL . 25.9 t . . . . . 0 C--N 1.278 -2.523 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.9 mt . . . . . 0 N--CA 1.442 -0.825 0 CA-C-O 120.669 0.271 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -87.41 109.15 19.36 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.197 0.522 . . . . 0.0 111.003 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.463 ' OG ' HG21 ' B' ' 33' ' ' VAL . 91.1 p -107.05 -152.89 0.49 Allowed 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 123.624 0.77 . . . . 0.0 109.482 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m -160.38 131.04 5.48 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.82 110.19 4.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HZ2' ' CG ' ' B' ' 30' ' ' ASP . 69.0 mmtt -104.91 167.33 9.78 Favored 'General case' 0 C--N 1.281 -2.413 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -101.15 118.17 36.45 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.304 0.573 . . . . 0.0 110.956 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -105.27 96.1 6.29 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.09 -121.63 7.16 Favored Glycine 0 N--CA 1.435 -1.381 0 N-CA-C 108.24 -1.944 . . . . 0.0 108.24 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -107.87 24.89 12.26 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 117.728 0.764 . . . . 0.0 110.502 173.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -129.05 127.38 23.33 Favored Pre-proline 0 N--CA 1.406 -2.631 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -65.75 132.23 29.99 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.164 1.909 . . . . 0.0 109.499 172.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -132.64 140.81 48.35 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.085 0.469 . . . . 0.0 111.086 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.26 130.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -79.18 129.39 34.41 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 123.425 0.453 . . . . 0.0 111.337 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -102.27 127.83 29.78 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.47 138.58 71.56 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 121.939 1.76 . . . . 0.0 110.772 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.51 -27.43 69.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.144 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 m -59.06 -43.11 91.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.657 0.783 . . . . 0.0 109.925 175.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.24 -36.92 61.25 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.512 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mmm -51.77 -52.66 47.22 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 124.345 1.028 . . . . 0.0 109.479 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -68.84 -31.53 70.57 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.657 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.87 75.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.666 0.745 . . . . 0.0 110.418 -176.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.5 mt -94.58 -4.09 48.48 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.578 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.19 29.96 19.46 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.93 1.292 . . . . 0.0 112.748 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -100.84 155.98 17.62 Favored 'General case' 0 N--CA 1.411 -2.405 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -127.85 -178.2 4.41 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.437 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.63 142.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 79.22 17.49 0.87 Allowed 'General case' 0 CA--C 1.493 -1.247 0 C-N-CA 125.475 1.51 . . . . 0.0 112.292 -177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' B' ' 5' ' ' SER . 17.3 t70 -85.68 123.45 31.09 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.541 ' HA ' ' O ' ' B' ' 4' ' ' SER . 31.8 tt0 -73.38 131.44 41.87 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.268 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.557 HG21 ' OG ' ' B' ' 4' ' ' SER . 1.2 m -128.85 155.69 40.96 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.755 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -92.83 121.96 34.73 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.171 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.03 95.24 4.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 103.903 -2.628 . . . . 0.0 103.903 166.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -110.72 136.25 50.08 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 123.383 0.427 . . . . 0.0 110.093 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD12 ' C ' ' A' ' 37' ' ' LEU . 3.0 tm? -93.25 131.45 38.35 Favored 'General case' 0 N--CA 1.385 -3.717 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -177.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' N ' HD12 ' A' ' 37' ' ' LEU . 98.6 t -151.44 122.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 66.95 21.86 10.23 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.474 1.13 . . . . 0.0 110.909 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.12 11.3 74.85 Favored Glycine 0 C--N 1.317 -0.52 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.534 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -107.21 146.95 30.75 Favored 'General case' 0 N--CA 1.413 -2.317 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.91 122.36 34.36 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-O 121.894 0.854 . . . . 0.0 109.916 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.9 mm -100.94 122.87 53.51 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.056 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.637 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.67 115.21 48.86 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.491 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -134.58 149.41 70.83 Favored Pre-proline 0 C--N 1.287 -2.124 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -83.4 170.43 11.84 Favored 'Trans proline' 0 N--CA 1.41 -3.423 0 C-N-CA 121.568 1.512 . . . . 0.0 108.371 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.423 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.8 t . . . . . 0 C--N 1.261 -3.245 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.592 0.235 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -87.83 123.96 33.14 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.557 ' OG ' HG21 ' A' ' 33' ' ' VAL . 76.7 p -121.36 -156.2 0.67 Allowed 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.792 0.837 . . . . 0.0 109.497 -177.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 39.2 m -156.43 133.77 10.7 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.3 110.8 12.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -104.6 169.89 8.2 Favored 'General case' 0 C--N 1.282 -2.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -103.45 114.91 29.56 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 121.153 0.501 . . . . 0.0 111.538 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -102.26 95.45 6.31 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.67 -121.19 8.58 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -104.02 18.67 21.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 117.348 0.574 . . . . 0.0 111.036 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -125.47 125.74 25.07 Favored Pre-proline 0 N--CA 1.416 -2.175 0 O-C-N 121.76 -0.588 . . . . 0.0 109.656 -173.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -63.19 131.15 31.18 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.136 1.891 . . . . 0.0 109.448 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.446 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -132.44 140.3 48.36 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-O 120.974 0.416 . . . . 0.0 111.438 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.13 128.12 65.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.44 125.54 29.49 Favored 'General case' 0 C--N 1.315 -0.891 0 O-C-N 123.559 0.537 . . . . 0.0 111.49 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -98.78 127.76 34.52 Favored Pre-proline 0 C--N 1.305 -1.343 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -61.74 137.7 70.01 Favored 'Trans proline' 0 C--O 1.252 1.196 0 C-N-CA 122.16 1.907 . . . . 0.0 110.878 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -26.47 68.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.176 0.512 . . . . 0.0 110.08 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -58.35 -44.27 88.69 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.827 0.851 . . . . 0.0 109.882 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.62 -36.6 60.2 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.648 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mmm -52.09 -50.48 61.52 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.528 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.63 -30.8 68.6 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.454 -1.248 . . . . 0.0 111.759 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -38.67 74.91 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.836 0.827 . . . . 0.0 110.657 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.2 mt -95.73 -1.06 50.69 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.736 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 61.2 21.93 12.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.139 1.376 . . . . 0.0 113.121 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -96.2 153.73 17.64 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -125.74 178.97 5.39 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.39 -177.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.65 139.46 21.05 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . 0.468 ' CG ' ' HZ2' ' A' ' 7' ' ' LYS . 0.6 OUTLIER 79.61 15.67 0.9 Allowed 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 125.859 1.664 . . . . 0.0 112.808 -176.307 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -83.07 123.08 29.14 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 4' ' ' SER . 31.3 tt0 -71.29 134.03 46.49 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.699 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.463 HG21 ' OG ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -131.62 151.43 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.699 -179.031 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.75 124.77 34.45 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.55 94.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 103.507 -2.775 . . . . 0.0 103.507 165.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.428 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 37.8 t70 -110.91 130.67 55.51 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.981 -174.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -88.73 130.94 35.23 Favored 'General case' 0 N--CA 1.389 -3.48 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -151.57 127.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 64.26 21.17 12.45 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.44 1.114 . . . . 0.0 110.934 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.88 70.82 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.416 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -112.36 148.16 34.85 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.62 122.24 34.01 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-O 121.707 0.765 . . . . 0.0 110.227 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 47.0 mm -102.33 122.58 54.8 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-N 114.13 -1.395 . . . . 0.0 108.647 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.13 115.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.644 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -135.74 146.58 57.75 Favored Pre-proline 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -85.48 161.34 11.03 Favored 'Trans proline' 0 N--CA 1.408 -3.523 0 C-N-CA 121.672 1.582 . . . . 0.0 109.09 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.251 -3.691 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 -179.445 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 104.73 8.31 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.487 ' OG ' HG23 ' B' ' 33' ' ' VAL . 81.5 p -96.74 -156.61 0.54 Allowed 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.697 -175.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 33.5 p -166.29 126.82 1.7 Allowed 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.7 117.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.4 mmtt -105.88 169.44 8.48 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -176.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.57 112.53 25.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.004 0.43 . . . . 0.0 111.756 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -103.27 95.71 6.28 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.88 -115.43 4.12 Favored Glycine 0 N--CA 1.422 -2.244 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -115.17 28.01 8.99 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 173.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.4 m -135.71 134.46 20.8 Favored Pre-proline 0 N--CA 1.417 -2.088 0 O-C-N 122.105 -0.372 . . . . 0.0 110.083 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 18.2 Cg_endo -67.53 126.18 14.45 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.721 2.281 . . . . 0.0 111.347 176.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.09 137.43 36.19 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.342 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.96 139.54 34.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.47 120.35 25.81 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.74 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 3.2 mp -92.96 130.04 37.66 Favored Pre-proline 0 C--N 1.297 -1.695 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -60.26 127.42 22.97 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 122.112 1.875 . . . . 0.0 110.782 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.72 -30.66 65.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.106 0.562 . . . . 0.0 111.189 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 m -56.63 -36.08 69.07 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.665 0.786 . . . . 0.0 110.684 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.26 -33.93 28.97 Favored 'General case' 0 CA--C 1.484 -1.574 0 C-N-CA 122.809 0.444 . . . . 0.0 111.002 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.9 -47.8 70.77 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.067 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.39 -35.33 79.09 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.171 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.71 64.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 69.7 mt -102.51 -9.57 20.09 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.867 0.842 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 t30 60.83 68.59 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.411 1.884 . . . . 0.0 112.89 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -131.32 161.27 32.72 Favored 'General case' 0 N--CA 1.402 -2.837 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.527 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -127.2 -169.33 2.02 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.147 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -77.63 145.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.43 27.04 5.06 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 125.062 1.345 . . . . 0.0 109.098 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' B' ' 5' ' ' SER . 21.0 t0 -99.3 136.04 39.83 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HA ' ' O ' ' B' ' 4' ' ' SER . 38.6 tt0 -86.76 126.0 34.3 Favored 'General case' 0 C--N 1.28 -2.432 0 C-N-CA 124.26 1.024 . . . . 0.0 110.147 -173.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.542 HG23 ' OG ' ' B' ' 4' ' ' SER . 1.7 m -126.77 158.86 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.192 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -91.88 121.45 33.5 Favored 'General case' 0 C--N 1.286 -2.171 0 C-N-CA 119.045 -1.062 . . . . 0.0 110.973 174.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.0 mm -89.85 90.26 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 11.7 t70 -103.51 123.39 46.82 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -171.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -86.27 127.06 34.71 Favored 'General case' 0 N--CA 1.387 -3.589 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -143.71 124.97 10.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.052 -1.431 . . . . 0.0 108.671 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 55.64 23.05 5.78 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.253 1.421 . . . . 0.0 112.959 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.34 13.47 68.16 Favored Glycine 0 C--N 1.297 -1.609 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.576 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 158.0 33.68 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.0 mt -91.51 120.34 32.24 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-O 121.973 0.892 . . . . 0.0 108.959 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 50.9 mm -101.63 123.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.228 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.635 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -107.11 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.734 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.97 133.54 23.92 Favored Pre-proline 0 C--N 1.294 -1.805 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -81.42 165.34 18.61 Favored 'Trans proline' 0 N--CA 1.401 -3.918 0 C-N-CA 120.838 1.025 . . . . 0.0 109.55 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.488 HG21 ' HA ' ' A' ' 33' ' ' VAL . 33.5 t . . . . . 0 C--N 1.265 -3.078 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -76.02 107.75 8.45 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' SER . . . . . 0.542 ' OG ' HG23 ' A' ' 33' ' ' VAL . 64.4 p -101.44 -159.18 0.72 Allowed 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.27 -174.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 15.2 p -164.52 125.96 2.18 Favored 'General case' 0 N--CA 1.415 -2.189 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 176.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.64 112.36 16.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -101.28 174.16 6.12 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -107.78 112.47 25.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.092 0.472 . . . . 0.0 111.696 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -104.22 98.7 8.46 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.85 -120.16 5.61 Favored Glycine 0 N--CA 1.425 -2.043 0 N-CA-C 107.402 -2.279 . . . . 0.0 107.402 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -115.25 31.36 6.75 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 117.073 0.436 . . . . 0.0 110.419 172.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -134.05 135.03 23.62 Favored Pre-proline 0 N--CA 1.42 -1.953 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.402 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 18.8 Cg_endo -67.13 127.45 16.79 Favored 'Trans proline' 0 C--O 1.246 0.908 0 C-N-CA 122.891 2.394 . . . . 0.0 111.399 175.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.34 137.58 34.21 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.359 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -109.53 140.78 26.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.75 120.05 25.98 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . 0.465 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -93.99 129.28 38.18 Favored Pre-proline 0 C--N 1.305 -1.356 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -59.44 127.94 25.57 Favored 'Trans proline' 0 C--O 1.253 1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 110.927 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.1 63.07 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.27 0.628 . . . . 0.0 111.197 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -58.81 -39.16 80.34 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.547 0.739 . . . . 0.0 110.387 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.38 -32.94 43.22 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.6 mmm -54.23 -48.02 71.54 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.434 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.98 -33.99 72.78 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.589 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.2 75.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.353 0.597 . . . . 0.0 111.75 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . 0.449 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 75.3 mt -95.08 -14.95 23.79 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.393 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 66.8 70.17 0.4 Allowed 'General case' 0 C--O 1.254 1.298 0 C-N-CA 125.68 1.592 . . . . 0.0 112.483 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -133.83 160.23 38.24 Favored 'General case' 0 N--CA 1.396 -3.143 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.566 172.662 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -126.67 -171.96 2.53 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -76.74 142.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 71.07 25.49 3.68 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.196 1.798 . . . . 0.0 109.578 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' SER . 9.9 t70 -95.39 132.57 40.3 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.7 tt0 -82.11 127.03 32.71 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.895 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' VAL . . . . . 0.487 HG23 ' OG ' ' A' ' 4' ' ' SER . 1.2 m -129.0 153.87 39.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.794 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -87.41 126.55 34.94 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.011 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.41 HG23 HD22 ' B' ' 42' ' ' LEU . 15.7 mm -93.33 91.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 168.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -104.67 125.03 50.38 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -86.82 125.02 33.68 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-O 122.012 0.911 . . . . 0.0 109.078 -176.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -141.83 123.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.507 0 CA-C-N 114.01 -1.45 . . . . 0.0 108.985 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 57.14 21.62 6.67 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.772 1.229 . . . . 0.0 113.215 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.18 14.54 62.15 Favored Glycine 0 C--N 1.306 -1.112 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.1 158.44 38.0 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 173.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . 0.41 HD22 HG23 ' B' ' 35' ' ' ILE . 68.5 mt -90.58 120.82 31.98 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 121.84 0.829 . . . . 0.0 109.31 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 50.9 mm -102.56 126.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.32 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.821 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -109.31 104.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.965 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.52 131.88 24.31 Favored Pre-proline 0 C--N 1.295 -1.793 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -80.24 164.84 21.66 Favored 'Trans proline' 0 N--CA 1.404 -3.776 0 C-N-CA 120.989 1.126 . . . . 0.0 109.45 -176.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.435 HG21 ' HA ' ' B' ' 33' ' ' VAL . 36.6 t . . . . . 0 C--N 1.266 -3.06 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 CA--C 1.519 -0.235 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -117.71 141.24 48.62 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -101.25 46.31 0.94 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 120.997 0.427 . . . . 0.0 110.934 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 27.9 m -65.96 -18.14 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.682 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -68.16 -25.49 65.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.925 175.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -98.62 107.47 19.93 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.165 -174.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -111.76 131.71 55.14 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -108.14 105.1 14.68 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.61 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 70.22 156.06 0.15 Allowed 'General case' 0 C--O 1.244 0.783 0 C-N-CA 124.875 1.27 . . . . 0.0 112.744 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -108.75 110.5 21.9 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.493 -0.776 . . . . 0.0 108.996 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 26.7 ttt -87.62 102.1 14.28 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 5.4 p -152.14 101.7 2.73 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.523 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.9 -39.36 94.27 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -79.02 -36.48 41.09 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.755 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.79 -38.26 88.54 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -69.41 114.37 7.58 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -92.16 82.27 5.03 Favored 'General case' 0 N--CA 1.408 -2.552 0 CA-C-O 121.697 0.76 . . . . 0.0 110.088 -170.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -66.84 -131.17 0.03 OUTLIER Glycine 0 C--N 1.291 -1.917 0 CA-C-N 113.237 -1.801 . . . . 0.0 112.276 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.1 mt -104.87 114.64 45.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 O-C-N 121.584 -0.951 . . . . 0.0 110.157 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -85.41 142.56 29.18 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.46 ' OG ' HG22 ' B' ' 33' ' ' VAL . 82.2 p -141.38 -158.83 0.9 Allowed 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 20.9 t -161.31 134.06 6.16 Favored 'General case' 0 N--CA 1.413 -2.278 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.89 116.88 29.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -110.24 176.15 5.16 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.588 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -102.09 110.37 22.31 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.215 0.531 . . . . 0.0 111.174 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -97.91 96.46 8.2 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 -118.43 4.71 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -174.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -114.94 26.23 10.31 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 116.989 0.394 . . . . 0.0 110.354 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.6 m -131.46 141.55 42.15 Favored Pre-proline 0 N--CA 1.418 -2.071 0 O-C-N 121.94 -0.475 . . . . 0.0 110.561 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -68.5 121.04 7.95 Favored 'Trans proline' 0 C--N 1.322 -0.849 0 C-N-CA 123.251 2.634 . . . . 0.0 112.271 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.22 135.91 39.47 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -112.43 153.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 119.64 30.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -86.62 129.36 53.16 Favored Pre-proline 0 C--N 1.302 -1.478 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.53 122.6 11.93 Favored 'Trans proline' 0 C--O 1.248 1.011 0 C-N-CA 122.308 2.005 . . . . 0.0 111.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.478 0.711 . . . . 0.0 110.612 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -60.45 -39.29 87.02 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.418 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.39 -30.81 33.52 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 121.988 -0.445 . . . . 0.0 110.972 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.9 mmm -52.75 -50.71 62.94 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.241 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -64.45 -37.61 88.13 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.058 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.83 -34.66 75.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.056 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.0 mt -101.23 -3.32 29.22 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.782 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.6 57.13 0.88 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.119 1.367 . . . . 0.0 113.351 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.83 158.72 37.92 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -177.35 4.21 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.862 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.9 mm -63.95 142.02 17.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.439 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 76.31 12.06 2.73 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.617 1.567 . . . . 0.0 110.609 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' O ' ' HA ' ' B' ' 5' ' ' SER . 5.5 t0 -85.07 164.98 17.88 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.2 tt0 -111.41 130.84 55.57 Favored 'General case' 0 C--N 1.261 -3.261 0 C-N-CA 123.619 0.767 . . . . 0.0 109.555 -175.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.498 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.8 m -121.82 157.91 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.177 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.152 177.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -108.42 116.36 31.82 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.037 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CG2' HD21 ' A' ' 42' ' ' LEU . 4.0 mp -95.92 118.32 41.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.71 130.87 56.6 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.987 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -90.3 124.62 35.05 Favored 'General case' 0 N--CA 1.382 -3.873 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -139.48 108.26 3.43 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.985 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.361 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 61.46 31.89 18.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.685 0.794 . . . . 0.0 112.322 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.39 17.41 76.13 Favored Glycine 0 C--N 1.308 -1.019 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.194 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -119.58 144.28 47.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.459 HD21 ' CG2' ' A' ' 35' ' ' ILE . 64.0 mt -94.74 118.33 31.56 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-O 122.061 0.934 . . . . 0.0 109.531 174.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.3 mm -105.43 123.18 59.58 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.122 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.105 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.4 mm -100.72 114.26 39.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.859 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -118.11 137.51 24.6 Favored Pre-proline 0 C--N 1.296 -1.718 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.17 165.06 9.85 Favored 'Trans proline' 0 N--CA 1.401 -3.916 0 CA-C-N 120.499 1.214 . . . . 0.0 109.318 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -100.17 104.28 15.93 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.163 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -76.26 132.62 39.98 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 113.451 -1.704 . . . . 0.0 113.456 -168.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.77 96.14 3.18 Favored 'General case' 0 N--CA 1.402 -2.851 0 CA-C-N 113.433 -1.712 . . . . 0.0 109.578 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.286 -2.195 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 CA--C 1.511 -0.555 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -108.04 145.18 34.35 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -103.97 53.23 0.75 Allowed 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.359 0.6 . . . . 0.0 110.616 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 27.9 m -73.15 -12.07 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.421 0.629 . . . . 0.0 111.177 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -70.77 -27.63 64.07 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.098 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -96.84 104.94 16.98 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.23 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -109.62 118.13 35.75 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -95.59 103.95 15.85 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 122.055 -0.403 . . . . 0.0 111.752 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 69.7 157.71 0.16 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.874 1.27 . . . . 0.0 113.151 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -108.82 101.44 10.55 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.722 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 27.6 ttt -79.95 100.91 8.32 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.801 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 9.5 p -148.95 105.06 3.5 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.471 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -61.88 -43.49 98.73 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.143 -172.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.6 -39.92 26.67 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.91 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.49 -41.03 98.53 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.241 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.06 113.26 3.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -91.88 80.26 5.23 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-O 121.737 0.78 . . . . 0.0 110.317 -168.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -66.75 -126.35 0.02 OUTLIER Glycine 0 C--N 1.289 -2.037 0 CA-C-N 113.642 -1.617 . . . . 0.0 113.166 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.2 mt -107.4 118.51 55.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 O-C-N 121.731 -0.864 . . . . 0.0 109.791 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.08 137.6 32.23 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.498 ' OG ' HG22 ' A' ' 33' ' ' VAL . 76.3 p -132.33 -153.97 0.59 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.241 -173.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.546 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 17.1 t -166.35 132.8 2.5 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.63 113.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -106.48 176.62 5.11 Favored 'General case' 0 C--N 1.275 -2.667 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.573 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -101.94 113.76 27.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 120.845 0.355 . . . . 0.0 111.167 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -103.68 98.6 8.44 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.9 -119.55 5.26 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 107.325 -2.31 . . . . 0.0 107.325 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -114.98 28.57 8.63 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 117.175 0.488 . . . . 0.0 110.132 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -132.16 140.29 37.59 Favored Pre-proline 0 N--CA 1.418 -2.062 0 O-C-N 121.797 -0.564 . . . . 0.0 110.53 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -68.09 120.97 7.94 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 175.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.83 134.36 38.8 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -112.06 152.61 13.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.982 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 123.25 33.23 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -88.2 129.76 48.58 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.41 123.69 14.17 Favored 'Trans proline' 0 C--O 1.25 1.084 0 C-N-CA 122.254 1.969 . . . . 0.0 111.578 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -25.24 67.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.665 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -61.62 -39.23 90.54 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.953 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.84 -32.22 31.27 Favored 'General case' 0 CA--C 1.478 -1.807 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 89.8 mmm -51.7 -52.2 50.11 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.481 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -63.73 -37.02 85.79 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.571 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.78 74.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.297 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -101.54 0.95 37.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 67.82 36.96 3.31 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.39 160.02 16.52 Favored 'General case' 0 N--CA 1.418 -2.055 0 O-C-N 122.004 -0.435 . . . . 0.0 110.495 174.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -176.37 4.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 123.418 0.687 . . . . 0.0 111.494 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.1 mm -65.45 141.67 17.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 t70 74.75 12.0 3.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.205 1.802 . . . . 0.0 110.711 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.0 t0 -83.36 166.75 18.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 4' ' ' SER . 31.8 tt0 -113.5 129.68 56.5 Favored 'General case' 0 C--N 1.255 -3.525 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -174.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.46 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.1 m -122.84 153.51 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.926 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.536 ' HG2' ' OD1' ' B' ' 36' ' ' ASP . 24.5 ttpp -106.27 117.65 34.59 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.321 0.582 . . . . 0.0 109.757 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' B' ' 42' ' ' LEU . 4.0 mp -95.4 114.31 31.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.536 ' OD1' ' HG2' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -113.53 129.53 56.54 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.176 -178.671 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -91.81 125.23 36.44 Favored 'General case' 0 N--CA 1.384 -3.729 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.56 110.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.995 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.493 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.03 29.5 14.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.454 0.702 . . . . 0.0 112.366 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.14 20.96 74.69 Favored Glycine 0 C--N 1.309 -0.921 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -122.98 142.66 50.59 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' B' ' 35' ' ' ILE . 53.4 mt -92.32 118.07 30.53 Favored 'General case' 0 CA--C 1.483 -1.62 0 CA-C-O 121.886 0.85 . . . . 0.0 109.834 175.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.04 123.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.058 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.248 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.4 mm -99.93 114.55 38.7 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.937 -179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -118.12 137.17 24.27 Favored Pre-proline 0 C--N 1.293 -1.873 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -87.11 162.07 8.64 Favored 'Trans proline' 1 N--CA 1.397 -4.18 0 CA-C-N 120.697 1.285 . . . . 0.0 109.435 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 t -95.67 107.5 19.7 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.053 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -77.57 133.66 38.43 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.139 -1.391 . . . . 0.0 114.322 -169.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 96.05 3.16 Favored 'General case' 0 N--CA 1.397 -3.096 0 CA-C-N 112.93 -1.941 . . . . 0.0 109.477 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--N 1.292 -1.932 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.227 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -94.39 143.88 26.02 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -79.77 116.32 19.87 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.977 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.26 133.63 24.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.035 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -84.8 95.07 8.86 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -147.11 161.98 39.77 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -55.52 -34.4 64.63 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 123.876 0.735 . . . . 0.0 110.929 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -95.92 95.48 8.26 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -126.99 127.79 45.36 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -104.95 113.86 27.71 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -96.93 76.68 2.73 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.972 0.892 . . . . 0.0 112.034 -176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 6.2 m -63.21 -20.4 65.4 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.295 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.22 -14.83 63.28 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.71 0.804 . . . . 0.0 111.424 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -83.54 -24.37 31.65 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.162 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.83 -25.19 32.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.763 0.792 . . . . 0.0 110.728 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -97.26 139.09 33.74 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -111.54 3.88 18.34 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.161 0.505 . . . . 0.0 110.234 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -87.1 150.64 23.0 Favored Glycine 1 N--CA 1.39 -4.372 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -174.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.87 109.72 11.62 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.365 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -71.62 133.82 45.96 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.02 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.9 m -149.64 -168.23 3.05 Favored 'General case' 0 C--N 1.279 -2.479 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.485 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 67.7 m -150.59 160.47 43.78 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 118.1 0.409 . . . . 0.0 110.652 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.83 130.46 47.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 5' ' ' SER . 0.6 OUTLIER -127.48 172.52 10.62 Favored 'General case' 0 C--N 1.274 -2.68 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.081 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -107.6 120.86 43.4 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.758 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -102.3 94.82 5.91 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.07 -131.14 13.35 Favored Glycine 0 N--CA 1.427 -1.908 0 N-CA-C 107.571 -2.212 . . . . 0.0 107.571 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -93.34 8.64 39.63 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 117.869 0.834 . . . . 0.0 112.553 173.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -113.57 129.45 24.65 Favored Pre-proline 0 N--CA 1.412 -2.36 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -63.2 130.55 29.12 Favored 'Trans proline' 0 C--N 1.301 -1.945 0 C-N-CA 122.569 2.179 . . . . 0.0 110.161 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.31 138.59 45.08 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-O 121.268 0.556 . . . . 0.0 110.724 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -108.02 137.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -82.76 117.23 22.52 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.264 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.18 134.95 20.47 Favored Pre-proline 0 C--N 1.302 -1.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.949 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.33 125.74 17.64 Favored 'Trans proline' 0 C--O 1.251 1.144 0 C-N-CA 122.55 2.167 . . . . 0.0 111.139 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.74 -27.09 66.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.111 0.482 . . . . 0.0 111.328 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -60.49 -33.86 73.21 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.813 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.88 -33.2 34.51 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-O 121.214 0.53 . . . . 0.0 110.855 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 56.4 mmm -53.92 -51.81 62.56 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.292 172.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 89.5 mt-30 -62.02 -34.31 75.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.843 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.51 68.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.443 0.64 . . . . 0.0 111.243 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -98.1 -1.61 41.96 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.347 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 66.5 17.5 10.66 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.979 1.312 . . . . 0.0 113.093 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 pp -98.69 162.83 12.91 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -138.06 175.55 9.48 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 121.302 0.572 . . . . 0.0 111.7 -171.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 140.67 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 t70 81.2 6.59 1.27 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.753 1.621 . . . . 0.0 111.19 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.99 160.61 14.5 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.34 135.58 39.04 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 123.739 0.816 . . . . 0.0 110.548 -171.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.83 157.08 43.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.635 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.511 ' HG3' HG21 ' A' ' 47' ' ' VAL . 22.0 mtpp -93.32 122.71 36.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.474 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.54 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 164.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 9.1 t70 -99.47 135.56 40.7 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.45 123.57 37.94 Favored 'General case' 0 N--CA 1.393 -3.279 0 CA-C-O 121.631 0.729 . . . . 0.0 109.561 -175.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' HB ' HG13 ' A' ' 43' ' ' ILE . 40.6 t -141.57 126.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.467 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 59.55 21.6 10.15 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.779 1.232 . . . . 0.0 112.703 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.54 16.52 73.24 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 114.038 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -129.1 166.39 19.39 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 117.91 0.855 . . . . 0.0 110.274 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.83 125.5 33.33 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.933 0.873 . . . . 0.0 109.402 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.48 HG13 ' HB ' ' A' ' 38' ' ' VAL . 44.0 mm -116.62 139.02 45.3 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.468 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.977 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 67.6 mt -113.19 111.09 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 CA-C-O 121.92 0.867 . . . . 0.0 109.86 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 33.0 tt0 -132.33 131.48 22.37 Favored Pre-proline 0 C--N 1.277 -2.568 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -81.73 170.3 14.3 Favored 'Trans proline' 0 N--CA 1.417 -3.003 0 CA-C-N 120.161 1.093 . . . . 0.0 112.701 -171.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.511 HG21 ' HG3' ' A' ' 34' ' ' LYS . 44.7 t -100.0 117.31 44.99 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 106.263 -1.755 . . . . 0.0 106.263 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.71 130.01 35.34 Favored 'General case' 0 C--N 1.277 -2.544 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -92.71 96.45 10.18 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--N 1.263 -3.162 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 -173.66 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -80.2 138.93 36.93 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -71.46 123.24 21.94 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.121 -177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 14.9 p -62.62 132.75 28.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.229 -175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -85.88 92.21 8.58 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.933 0.873 . . . . 0.0 108.802 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -147.91 163.13 37.76 Favored 'General case' 0 N--CA 1.42 -1.958 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -57.1 -33.8 67.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.32 0.648 . . . . 0.0 110.324 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -95.38 101.69 13.44 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -134.55 126.06 28.54 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -174.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -104.84 110.56 22.97 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.163 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -96.05 82.48 3.5 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 122.161 0.981 . . . . 0.0 111.312 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 6.2 m -68.68 -14.53 63.08 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.39 -20.01 64.65 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.635 0.774 . . . . 0.0 110.723 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -75.65 -33.01 60.43 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.847 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.94 -40.03 72.29 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.185 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . 0.423 ' CG ' ' HZ2' ' A' ' 34' ' ' LYS . 8.5 t70 -87.14 143.9 27.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.031 -175.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -114.6 4.02 15.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.892 0.377 . . . . 0.0 110.369 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -93.47 144.5 17.12 Favored Glycine 0 N--CA 1.398 -3.883 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.38 113.21 4.88 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.807 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -75.28 131.83 40.6 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.401 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.5 m -143.38 -167.65 2.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.692 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.416 ' HB2' ' HE3' ' B' ' 7' ' ' LYS . 68.5 m -151.25 156.89 41.78 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 t -96.1 133.47 37.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.416 ' HE3' ' HB2' ' B' ' 5' ' ' SER . 0.6 OUTLIER -129.65 170.87 13.25 Favored 'General case' 0 C--N 1.279 -2.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 175.276 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -105.92 117.4 33.92 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.616 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -99.01 97.71 8.83 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -126.19 12.73 Favored Glycine 0 N--CA 1.43 -1.726 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -98.49 14.79 27.0 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 29.9 t -121.61 125.37 26.82 Favored Pre-proline 0 N--CA 1.406 -2.642 0 O-C-N 121.693 -0.629 . . . . 0.0 110.335 -174.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -59.84 128.4 26.69 Favored 'Trans proline' 0 C--O 1.246 0.912 0 C-N-CA 122.256 1.971 . . . . 0.0 109.59 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.12 139.13 46.93 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-O 121.134 0.492 . . . . 0.0 110.505 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.69 137.58 39.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.85 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -82.41 118.42 23.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 O-C-N 123.994 0.809 . . . . 0.0 111.261 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.48 134.75 20.07 Favored Pre-proline 0 C--N 1.3 -1.581 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -62.1 125.6 16.8 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 122.229 1.952 . . . . 0.0 110.536 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.87 -28.09 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -58.1 -35.27 71.19 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 124.017 0.927 . . . . 0.0 111.122 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.52 -31.8 47.74 Favored 'General case' 0 CA--C 1.473 -1.991 0 CA-C-O 121.079 0.466 . . . . 0.0 111.16 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.432 ' HE3' ' HB3' ' B' ' 22' ' ' MET . 64.8 mtp -57.84 -48.27 80.27 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.762 174.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.76 -35.74 79.0 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.756 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.4 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.601 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.61 -0.92 51.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 61.26 25.29 15.29 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.115 1.366 . . . . 0.0 112.729 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -105.1 159.22 16.01 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -134.73 176.06 8.98 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 121.149 0.499 . . . . 0.0 111.94 -172.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -66.6 141.18 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.23 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.8 t70 82.91 3.16 1.04 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.46 1.904 . . . . 0.0 111.317 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.96 159.0 15.95 Favored 'General case' 0 N--CA 1.42 -1.933 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.734 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -97.0 134.58 40.18 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 124.282 1.033 . . . . 0.0 110.139 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.21 155.7 42.1 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.174 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.5 ' HG3' HG21 ' B' ' 47' ' ' VAL . 22.5 mtpp -91.65 120.72 32.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.03 95.88 5.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 164.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.07 144.08 28.62 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.41 124.47 48.04 Favored 'General case' 0 N--CA 1.384 -3.746 0 CA-C-O 121.373 0.606 . . . . 0.0 109.371 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.419 ' HB ' HG13 ' B' ' 43' ' ' ILE . 39.7 t -142.93 131.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.163 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 58.88 21.84 9.58 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.85 0.86 . . . . 0.0 112.913 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.46 0.63 88.17 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.84 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -118.7 166.32 12.91 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 117.871 0.835 . . . . 0.0 111.395 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 44.9 mt -84.02 125.66 32.3 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 121.775 0.798 . . . . 0.0 109.892 -176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.419 HG13 ' HB ' ' B' ' 38' ' ' VAL . 43.8 mm -117.88 138.81 47.35 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.266 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.034 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.27 113.68 44.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.822 0.82 . . . . 0.0 109.877 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -134.39 132.51 20.99 Favored Pre-proline 0 C--N 1.278 -2.504 0 N-CA-C 104.276 -2.49 . . . . 0.0 104.276 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -79.79 170.73 16.47 Favored 'Trans proline' 0 N--CA 1.422 -2.704 0 C-N-CA 121.141 1.227 . . . . 0.0 112.37 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.5 HG21 ' HG3' ' B' ' 34' ' ' LYS . 45.3 t -100.35 116.84 44.57 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.37 124.14 27.78 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 121.798 0.808 . . . . 0.0 110.981 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.6 95.96 9.54 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.269 -2.934 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.242 -173.614 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 40.2 t30 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -89.55 143.79 26.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.588 0.708 . . . . 0.0 112.241 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -130.06 90.17 2.92 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 20.0 m -132.93 3.12 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.213 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -169.61 172.08 7.13 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 37.6 m80 71.22 116.01 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.557 1.161 . . . . 0.0 112.092 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -88.27 83.21 6.94 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -105.91 131.81 52.78 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.289 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -129.25 118.75 22.84 Favored 'General case' 0 C--N 1.285 -2.239 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -84.32 165.72 18.03 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 57.7 mtt 77.98 72.12 0.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.878 1.323 . . . . 0.0 111.067 -173.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 19.3 m -150.54 -21.79 0.23 Allowed 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.227 -1.806 . . . . 0.0 107.171 176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -81.34 -14.68 57.01 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 127.416 2.286 . . . . 0.0 110.41 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -108.58 5.19 24.81 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 124.818 1.247 . . . . 0.0 109.401 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -46.69 -49.81 18.83 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -172.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -77.15 137.15 38.72 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.673 -173.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -135.48 28.07 3.36 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.509 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -63.29 -41.84 99.42 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.487 ' HB ' ' O ' ' B' ' 35' ' ' ILE . 60.0 mt -98.86 92.24 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.766 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 175.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -112.31 137.0 51.06 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.7 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 m -148.3 -161.3 1.31 Allowed 'General case' 0 C--N 1.277 -2.573 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.724 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -154.56 168.72 25.8 Favored 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.439 HG22 ' CG1' ' A' ' 15' ' ' VAL . 45.6 t -95.66 129.71 45.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -117.45 172.46 7.31 Favored 'General case' 0 C--N 1.284 -2.273 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.915 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -99.01 107.15 19.5 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.075 0.464 . . . . 0.0 110.921 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -92.6 93.39 8.49 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.29 -117.69 5.09 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 108.3 -1.92 . . . . 0.0 108.3 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -112.31 28.06 9.1 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.928 0.364 . . . . 0.0 111.393 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -140.35 132.97 14.68 Favored Pre-proline 0 N--CA 1.419 -1.998 0 O-C-N 121.401 -0.812 . . . . 0.0 109.906 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.461 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 10.4 Cg_endo -62.44 129.72 27.66 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 122.972 2.448 . . . . 0.0 112.3 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -137.38 140.05 41.15 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' CG1' HG22 ' A' ' 6' ' ' VAL . 27.5 m -110.61 145.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -89.4 122.03 32.22 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 123.43 0.456 . . . . 0.0 110.578 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.48 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 3.2 mp -91.49 125.23 58.58 Favored Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -59.39 131.75 42.51 Favored 'Trans proline' 0 C--O 1.247 0.94 0 C-N-CA 122.349 2.033 . . . . 0.0 111.739 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.39 -29.62 67.84 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.477 0.711 . . . . 0.0 110.668 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -60.06 -37.6 80.34 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.859 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -82.58 -32.27 28.55 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.847 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.3 mmm -52.73 -51.75 59.18 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.489 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.62 -36.73 84.58 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.461 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.87 76.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.502 0.668 . . . . 0.0 111.569 -174.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 82.8 mt -98.3 1.37 47.05 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.244 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 64.74 30.8 12.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.041 1.336 . . . . 0.0 114.278 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.6 161.92 13.28 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.055 0.455 . . . . 0.0 110.453 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -124.67 -179.95 4.72 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.785 177.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.1 mm -66.3 140.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 175.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.38 25.67 4.37 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.757 2.023 . . . . 0.0 110.192 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 6.0 t70 -85.17 134.77 34.15 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.12 133.93 44.29 Favored 'General case' 0 C--N 1.283 -2.304 0 C-N-CA 124.479 1.112 . . . . 0.0 110.179 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.8 m -133.0 149.09 31.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 121.122 0.487 . . . . 0.0 111.541 -178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -102.86 131.31 49.85 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.193 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.13 117.3 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.23 140.13 52.79 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 38' ' ' VAL . 0.6 OUTLIER -94.24 124.73 38.44 Favored 'General case' 1 N--CA 1.379 -4.013 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -178.052 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.405 ' N ' HD11 ' A' ' 37' ' ' LEU . 61.1 t -141.06 109.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.484 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.47 -178.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 51.25 61.54 3.18 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.86 0.864 . . . . 0.0 112.243 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.16 -3.01 7.9 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 114.867 -1.06 . . . . 0.0 114.812 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' B' ' 44' ' ' ILE . 43.9 mmtm -97.17 141.69 29.99 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 117.436 0.618 . . . . 0.0 110.791 -176.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.8 mt -90.98 100.45 13.31 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 166.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.6 mm -83.58 128.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.982 0 CA-C-N 114.181 -1.372 . . . . 0.0 108.498 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -126.92 122.38 60.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.789 0.68 . . . . 0.0 110.175 -171.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -130.39 136.12 28.49 Favored Pre-proline 0 C--N 1.293 -1.863 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -84.32 155.07 12.51 Favored 'Trans proline' 0 N--CA 1.405 -3.677 0 C-N-CA 121.737 1.624 . . . . 0.0 109.581 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 33' ' ' VAL . 3.8 t -109.69 93.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.245 -3.962 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -175.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.7 ptt-85 -86.59 136.33 33.1 Favored 'General case' 0 C--N 1.272 -2.765 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.571 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -86.81 96.24 10.13 Favored 'General case' 0 N--CA 1.416 -2.132 0 CA-C-O 122.758 1.266 . . . . 0.0 108.153 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 C--N 1.275 -2.656 0 CA-C-N 111.765 -2.471 . . . . 0.0 107.477 -174.066 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 36.1 t30 . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 120.661 0.267 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -87.77 151.91 22.52 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.065 -177.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -141.46 85.62 1.97 Allowed 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 175.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 26.2 m -130.18 6.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.895 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -173.94 173.47 3.22 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 39.2 m80 71.27 114.66 0.05 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.786 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -88.87 77.63 7.72 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.913 0.863 . . . . 0.0 110.405 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -99.23 143.19 29.78 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.316 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -137.4 112.33 8.98 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -74.23 160.04 31.68 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 60.2 mtt 78.81 72.11 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.625 1.202 . . . . 0.0 111.382 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 41.0 m -145.71 -19.48 0.46 Allowed 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.154 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -84.82 -14.21 48.72 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 127.752 2.421 . . . . 0.0 110.772 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -106.04 4.49 29.34 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 125.218 1.407 . . . . 0.0 109.637 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -46.19 -47.06 17.81 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.617 1.567 . . . . 0.0 114.81 -172.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.57 142.22 37.49 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.469 -173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -140.75 29.55 1.9 Allowed 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.664 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -61.98 -37.01 93.7 Favored Glycine 0 C--O 1.236 0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.508 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -106.87 97.94 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.641 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -117.93 132.16 56.44 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.635 0.731 . . . . 0.0 110.296 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 74.3 m -138.28 -161.11 1.13 Allowed 'General case' 0 C--N 1.279 -2.492 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.386 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.6 p -155.59 162.86 40.56 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.434 HG22 ' CG1' ' B' ' 15' ' ' VAL . 44.3 t -92.66 134.97 28.92 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -121.59 174.36 6.85 Favored 'General case' 0 C--N 1.279 -2.484 0 C-N-CA 119.36 -0.936 . . . . 0.0 109.508 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -103.29 106.27 16.75 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.279 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.93 93.52 9.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.12 -115.22 4.57 Favored Glycine 0 N--CA 1.426 -2.025 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -114.79 30.5 7.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.318 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 62.7 m -144.59 133.35 11.06 Favored Pre-proline 0 N--CA 1.43 -1.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.48 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.7 Cg_endo -63.78 130.36 27.59 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.036 2.491 . . . . 0.0 111.975 177.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.22 142.34 42.06 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.072 -179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.434 ' CG1' HG22 ' B' ' 6' ' ' VAL . 29.2 m -111.6 146.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -88.1 123.96 33.3 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 123.749 0.656 . . . . 0.0 110.1 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.461 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -94.67 124.03 56.19 Favored Pre-proline 0 C--N 1.304 -1.406 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -59.64 132.15 44.07 Favored 'Trans proline' 0 C--O 1.254 1.279 0 C-N-CA 122.556 2.171 . . . . 0.0 111.653 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.83 66.84 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.968 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -59.01 -40.19 84.16 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.169 0.987 . . . . 0.0 110.33 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.51 -32.19 32.5 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.636 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 88.4 mmm -52.97 -48.78 67.17 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.468 173.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.64 -34.39 75.64 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.576 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -29.52 61.08 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.623 0.725 . . . . 0.0 111.901 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 84.5 mt -102.34 -1.3 31.22 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.231 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 65.52 38.22 5.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.514 1.126 . . . . 0.0 113.196 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.21 158.31 17.95 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-O 121.217 0.532 . . . . 0.0 110.713 178.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.11 -177.33 3.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.756 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.35 140.76 17.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 71.9 24.65 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.947 2.099 . . . . 0.0 110.24 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -79.96 127.18 31.96 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.22 133.5 48.94 Favored 'General case' 0 C--N 1.287 -2.128 0 O-C-N 124.225 0.953 . . . . 0.0 109.766 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.402 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.9 m -132.98 145.82 33.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-O 120.886 0.374 . . . . 0.0 110.602 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -99.98 132.59 45.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.554 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.487 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -118.05 114.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -123.82 141.04 52.4 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.084 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.411 HD11 ' N ' ' B' ' 38' ' ' VAL . 0.7 OUTLIER -93.44 125.85 38.26 Favored 'General case' 0 N--CA 1.385 -3.69 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -178.107 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.411 ' N ' HD11 ' B' ' 37' ' ' LEU . 47.8 t -142.57 105.11 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.434 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 52.77 62.43 2.69 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.682 1.193 . . . . 0.0 112.213 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 2.25 43.78 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 114.557 -1.201 . . . . 0.0 114.729 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -104.46 143.52 32.9 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 117.471 0.636 . . . . 0.0 110.993 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.9 mt -92.92 99.64 12.25 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 167.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.48 127.17 39.99 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.055 0 CA-C-N 114.028 -1.442 . . . . 0.0 108.44 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 41' ' ' LYS . 42.1 mm -125.07 122.49 63.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.241 -172.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -130.59 136.88 29.64 Favored Pre-proline 0 C--N 1.286 -2.159 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 175.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -80.54 170.32 15.98 Favored 'Trans proline' 0 N--CA 1.409 -3.476 0 C-N-CA 121.541 1.494 . . . . 0.0 109.059 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' B' ' 33' ' ' VAL . 4.1 t -123.4 93.34 2.4 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.255 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -86.19 139.49 31.01 Favored 'General case' 0 C--N 1.276 -2.608 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -89.86 95.46 10.24 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-O 122.444 1.116 . . . . 0.0 109.044 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.279 -2.466 0 CA-C-N 112.787 -2.006 . . . . 0.0 108.132 -173.769 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.512 -0.515 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -121.21 -26.96 4.98 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.947 0.403 . . . . 0.0 111.559 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -90.29 -27.04 19.7 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 121.249 0.547 . . . . 0.0 110.96 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.85 151.42 32.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 44.0 m80 65.65 18.1 11.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.624 0.769 . . . . 0.0 111.917 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -93.37 -38.64 11.36 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 123.82 0.848 . . . . 0.0 109.176 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -100.84 14.47 31.63 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.158 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -84.1 117.4 23.42 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -77.98 96.9 5.17 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.145 0.498 . . . . 0.0 109.794 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -76.9 -37.7 54.93 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.573 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 91.3 mmm -101.12 101.88 12.71 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.803 0.811 . . . . 0.0 111.996 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 69.0 m -135.36 20.72 3.39 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.12 -33.09 75.19 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 113.572 -1.649 . . . . 0.0 112.086 -173.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -98.78 -23.22 15.48 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-O 121.833 0.825 . . . . 0.0 109.545 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -79.7 -49.25 12.37 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.72 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -85.19 92.15 8.33 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.523 0.677 . . . . 0.0 111.542 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -74.41 -28.14 60.94 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.446 175.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -119.51 -165.77 13.14 Favored Glycine 0 N--CA 1.417 -2.615 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -81.27 125.04 39.45 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.419 ' HB2' ' CG ' ' B' ' 32' ' ' GLU . 1.7 p-80 -81.7 143.86 31.56 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.536 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.513 ' OG ' HG22 ' B' ' 33' ' ' VAL . 76.8 p -138.44 -152.0 0.41 Allowed 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.155 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.479 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 18.4 p -159.0 134.57 8.62 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.37 105.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 173.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.403 ' HZ3' ' CG ' ' B' ' 30' ' ' ASP . 72.4 mmtt -104.77 167.23 9.85 Favored 'General case' 0 C--N 1.278 -2.505 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -102.74 118.67 37.35 Favored 'General case' 0 C--N 1.296 -1.761 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.702 -174.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -107.14 97.65 7.39 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.76 -129.61 13.66 Favored Glycine 0 N--CA 1.428 -1.851 0 N-CA-C 107.287 -2.325 . . . . 0.0 107.287 -173.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.64 27.26 8.14 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 117.355 0.578 . . . . 0.0 110.6 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -127.43 121.88 22.59 Favored Pre-proline 0 N--CA 1.425 -1.691 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -61.27 129.7 29.38 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.289 1.992 . . . . 0.0 110.478 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.95 138.96 52.83 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-O 121.073 0.463 . . . . 0.0 111.41 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.38 125.99 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.121 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -77.48 123.04 26.04 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.632 0.582 . . . . 0.0 111.189 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.55 131.87 24.11 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.16 134.39 36.45 Favored 'Trans proline' 0 C--O 1.249 1.072 0 C-N-CA 121.638 1.558 . . . . 0.0 110.272 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.09 -28.69 64.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.063 0.545 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.2 m -62.5 -38.78 91.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.345 0.658 . . . . 0.0 110.344 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -34.85 61.28 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-O 121.211 0.529 . . . . 0.0 111.093 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.7 mmm -54.69 -49.79 69.84 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.312 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.89 -37.98 89.42 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.539 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.6 87.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.464 0.649 . . . . 0.0 112.112 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 60.8 mt -93.85 -16.06 24.45 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.026 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 t30 67.14 69.65 0.39 Allowed 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.241 1.416 . . . . 0.0 111.749 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -133.66 159.99 38.85 Favored 'General case' 0 N--CA 1.4 -2.975 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 173.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -133.82 -176.97 4.35 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.9 mm -64.88 144.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 81.77 15.87 0.49 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.296 1.438 . . . . 0.0 112.516 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' B' ' 5' ' ' SER . 11.0 t70 -78.44 123.52 27.12 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.614 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 22.9 tt0 -86.7 104.31 15.97 Favored 'General case' 0 C--N 1.278 -2.534 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -177.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.569 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.4 m -100.73 161.57 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.175 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.207 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -100.03 127.02 46.3 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.096 177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.14 108.01 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 169.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' CG ' ' HZ1' ' B' ' 0' ' ' LYS . 34.8 t70 -122.13 131.46 53.97 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD11 ' N ' ' A' ' 38' ' ' VAL . 0.5 OUTLIER -98.26 125.13 43.22 Favored 'General case' 0 N--CA 1.387 -3.605 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.281 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.4 t -147.53 134.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.25 21.9 12.32 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.992 0.917 . . . . 0.0 112.469 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.29 23.35 77.43 Favored Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.894 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 51.8 pttt -129.85 158.76 38.58 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.8 mt -88.45 118.83 28.35 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.432 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 41.0 mm -97.88 120.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.951 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.7 mm -120.97 116.64 50.46 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.831 -174.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.5 mt-10 -127.66 148.48 67.0 Favored Pre-proline 0 C--N 1.284 -2.28 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -89.73 154.85 5.12 Favored 'Trans proline' 0 N--CA 1.413 -3.246 0 C-N-CA 122.107 1.871 . . . . 0.0 109.19 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 32.6 t -131.51 131.87 62.65 Favored 'Isoleucine or valine' 1 C--N 1.233 -4.471 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.084 -174.043 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -99.69 126.52 45.74 Favored 'General case' 0 N--CA 1.388 -3.526 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 171.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.614 ' HE3' ' OE1' ' A' ' 32' ' ' GLU . 75.0 mmtt -99.87 95.88 7.2 Favored 'General case' 0 N--CA 1.404 -2.725 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 174.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 N--CA 1.414 -2.265 0 CA-C-N 113.185 -1.825 . . . . 0.0 106.353 -169.219 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 CA--C 1.501 -0.929 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -123.72 -31.56 3.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.132 0.491 . . . . 0.0 110.862 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -88.76 -21.46 23.8 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.357 0.599 . . . . 0.0 111.468 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 28.7 m -134.89 155.57 38.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 39.6 m80 63.32 16.67 9.67 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.79 0.836 . . . . 0.0 112.733 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -92.53 -39.28 11.46 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.496 0.665 . . . . 0.0 109.905 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -99.31 11.68 38.4 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.942 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -78.85 124.26 28.04 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -82.65 99.37 9.54 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.257 0.551 . . . . 0.0 109.749 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 69.4 m80 -82.47 -29.4 30.6 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.306 -177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 94.9 mmm -110.4 100.02 8.93 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-O 122.059 0.933 . . . . 0.0 111.991 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 68.7 m -137.71 24.34 2.87 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 172.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.13 -35.74 82.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 112.889 -1.959 . . . . 0.0 110.389 -174.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.65 -26.36 16.37 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.312 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -77.72 -49.65 14.02 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.955 -1.02 . . . . 0.0 113.067 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -84.91 93.55 8.56 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.364 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . 0.454 ' HZ1' ' CG ' ' A' ' 36' ' ' ASP . 57.9 tttm -72.03 -32.47 67.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -114.73 -157.68 11.81 Favored Glycine 0 N--CA 1.427 -1.918 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.289 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt -87.61 124.43 40.9 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -82.28 136.17 35.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.637 0.732 . . . . 0.0 111.971 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.569 ' OG ' HG22 ' A' ' 33' ' ' VAL . 60.9 p -130.55 -153.24 0.55 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.225 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 34.6 p -160.44 131.41 5.61 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.69 109.12 7.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -107.71 166.71 10.49 Favored 'General case' 0 C--N 1.284 -2.267 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -101.03 120.07 39.66 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.158 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -107.62 97.44 7.17 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.6 -128.98 16.01 Favored Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -174.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -100.95 17.16 22.98 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 117.945 0.872 . . . . 0.0 112.253 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -122.05 127.92 25.75 Favored Pre-proline 0 N--CA 1.424 -1.728 0 O-C-N 122.03 -0.419 . . . . 0.0 110.017 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -62.68 130.29 29.19 Favored 'Trans proline' 0 C--O 1.244 0.783 0 C-N-CA 122.593 2.196 . . . . 0.0 110.462 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.447 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -128.36 138.94 52.59 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 120.991 0.424 . . . . 0.0 111.396 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 92.5 t -104.16 127.24 58.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.13 124.96 28.82 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 123.457 0.473 . . . . 0.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -101.42 129.66 26.43 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -65.39 134.68 39.69 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.021 1.814 . . . . 0.0 110.112 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -57.93 -30.57 66.04 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 123.187 0.595 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -62.25 -34.95 77.5 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.484 -1.577 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.83 -48.93 69.44 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.728 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 76.5 mt-30 -63.97 -38.86 92.61 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.097 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.15 76.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.222 0.534 . . . . 0.0 112.305 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.404 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 74.1 mt -99.9 -5.42 28.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 t30 60.91 64.57 1.12 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.019 1.328 . . . . 0.0 112.713 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -128.98 167.15 17.87 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -139.01 -175.9 4.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mm -69.44 144.81 13.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.403 ' CG ' ' HZ3' ' A' ' 7' ' ' LYS . 0.3 OUTLIER 82.07 13.32 0.56 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 125.121 1.368 . . . . 0.0 112.948 -178.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.479 ' O ' ' HA ' ' A' ' 5' ' ' SER . 13.3 t70 -79.17 128.22 33.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.694 ' OE1' ' HE3' ' B' ' 49' ' ' LYS . 21.5 tt0 -87.05 106.15 17.65 Favored 'General case' 0 C--N 1.285 -2.239 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.513 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.3 m -103.2 160.01 4.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.579 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -98.88 129.43 45.24 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.313 0.383 . . . . 0.0 110.11 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.35 104.01 15.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.473 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 29.2 t70 -121.73 129.08 52.45 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.414 HD11 ' N ' ' B' ' 38' ' ' VAL . 0.6 OUTLIER -96.6 126.7 41.96 Favored 'General case' 0 N--CA 1.39 -3.438 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -175.074 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.467 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 50.3 t -146.7 134.73 15.3 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.213 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.48 22.06 7.64 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 124.011 0.925 . . . . 0.0 113.265 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.17 21.54 77.86 Favored Glycine 0 N--CA 1.437 -1.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.772 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 47.5 pttt -130.18 158.74 38.87 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 176.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 42.7 mt -86.24 118.16 25.51 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.473 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 39.7 mm -98.12 119.84 46.67 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.986 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -120.32 115.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.92 -174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.94 148.81 61.11 Favored Pre-proline 0 C--N 1.283 -2.29 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -89.39 155.86 5.45 Favored 'Trans proline' 0 N--CA 1.41 -3.396 0 C-N-CA 121.887 1.725 . . . . 0.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.578 ' HB ' ' O ' ' B' ' 32' ' ' GLU . 21.2 t -132.5 125.21 53.02 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.831 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.274 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -93.22 129.91 39.09 Favored 'General case' 0 N--CA 1.396 -3.132 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.694 ' HE3' ' OE1' ' B' ' 32' ' ' GLU . 75.1 mmtt -104.15 96.17 6.47 Favored 'General case' 0 C--N 1.271 -2.832 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.288 -2.1 0 CA-C-N 114.591 -1.186 . . . . 0.0 107.862 -168.546 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 . . . . . 0 CA--C 1.5 -0.972 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -75.34 -54.18 7.5 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.021 0.439 . . . . 0.0 109.995 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -111.38 159.72 17.74 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 45.3 t -86.12 82.93 2.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . 0.279 4.3 p80 -81.43 65.14 6.45 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 122.693 1.235 . . . . 0.0 112.928 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -100.29 -23.68 14.73 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 112.876 -1.966 . . . . 0.0 107.081 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -105.59 146.82 29.15 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.669 -1.151 . . . . 0.0 109.436 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -126.5 154.25 44.03 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 123.617 0.573 . . . . 0.0 109.745 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -106.99 137.53 44.88 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -97.3 148.99 22.57 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -150.92 -45.61 0.12 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.762 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 13.3 m -72.25 -33.92 67.87 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.148 0.499 . . . . 0.0 110.755 -175.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.6 -32.04 70.02 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.031 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.07 -27.0 48.48 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.274 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.33 -31.32 23.07 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.18 -175.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.39 104.21 12.52 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 118.981 -1.087 . . . . 0.0 109.409 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -98.87 -43.93 6.55 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.347 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 53.09 69.68 1.14 Allowed Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.656 -0.702 . . . . 0.0 114.253 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.6 mt -80.44 119.76 30.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -90.48 135.21 33.83 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.273 0.558 . . . . 0.0 110.764 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 m -149.14 -166.64 2.61 Favored 'General case' 0 C--N 1.279 -2.459 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.579 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 8.2 p -145.14 158.19 43.89 Favored 'General case' 0 N--CA 1.417 -2.093 0 CA-C-O 121.169 0.509 . . . . 0.0 110.829 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -93.58 117.18 36.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.579 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 57.6 mttm -117.49 172.05 7.59 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.112 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -98.87 118.66 36.13 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.552 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -112.55 94.09 4.75 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.93 -128.56 11.08 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 108.159 -1.976 . . . . 0.0 108.159 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -100.83 29.48 4.53 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -132.97 120.69 16.48 Favored Pre-proline 0 N--CA 1.414 -2.253 0 O-C-N 121.142 -0.973 . . . . 0.0 110.959 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -66.1 121.89 9.3 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.916 1.744 . . . . 0.0 110.216 172.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.62 145.1 51.82 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -113.02 143.6 22.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -81.24 129.33 34.55 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.594 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.9 130.65 22.51 Favored Pre-proline 0 C--N 1.311 -1.085 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -63.25 136.05 53.62 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.847 1.698 . . . . 0.0 111.242 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 23' ' ' GLN . . . -62.63 -27.41 69.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.098 0.475 . . . . 0.0 110.183 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -58.58 -39.43 80.31 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.408 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.46 -34.79 54.34 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-O 121.03 0.443 . . . . 0.0 110.633 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.416 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 84.4 mmm -53.63 -49.97 66.73 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.38 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 83.6 mm-40 -69.49 -32.88 72.03 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.508 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.37 75.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.414 0.626 . . . . 0.0 111.913 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.33 -2.86 23.42 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.594 0.711 . . . . 0.0 110.525 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.9 t30 55.59 63.73 1.97 Allowed 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 126.107 1.763 . . . . 0.0 113.305 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 158.85 26.83 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -124.73 179.04 5.15 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -69.38 135.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.032 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 71.47 27.3 3.08 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.84 1.656 . . . . 0.0 111.441 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' CG ' ' HZ3' ' A' ' 49' ' ' LYS . 39.9 t0 -94.44 149.81 20.88 Favored 'General case' 0 N--CA 1.422 -1.858 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 174.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -90.64 137.59 32.24 Favored 'General case' 0 C--N 1.275 -2.642 0 O-C-N 123.717 0.635 . . . . 0.0 111.799 -170.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.5 m -135.5 158.33 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.102 0.477 . . . . 0.0 111.699 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -98.93 131.2 45.18 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.497 174.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.48 129.58 71.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 173.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -138.71 154.68 48.59 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -103.22 120.12 40.14 Favored 'General case' 1 N--CA 1.372 -4.355 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -143.41 124.55 10.74 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.627 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 61.23 24.04 14.19 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.372 1.082 . . . . 0.0 111.47 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.84 19.29 58.17 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.53 -0.759 . . . . 0.0 113.976 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 159.05 43.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 117.444 0.622 . . . . 0.0 109.428 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -91.14 120.84 32.42 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.238 1.018 . . . . 0.0 109.113 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -99.29 117.08 43.9 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.361 0 CA-C-N 113.491 -1.686 . . . . 0.0 108.173 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.86 104.9 17.81 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.971 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 31.0 tt0 -124.04 118.48 26.8 Favored Pre-proline 0 C--N 1.291 -1.94 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 7.6 Cg_endo -57.83 151.84 53.87 Favored 'Trans proline' 0 N--CA 1.431 -2.184 0 C-N-CA 124.017 3.144 . . . . 0.0 111.583 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.7 t -93.46 111.63 25.17 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.933 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -84.65 125.84 32.84 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-O 122.577 1.18 . . . . 0.0 112.208 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HZ3' ' CG ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -139.2 152.64 47.53 Favored 'General case' 0 N--CA 1.387 -3.625 0 C-N-CA 126.346 1.859 . . . . 0.0 106.625 176.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--N 1.29 -1.981 0 O-C-N 124.817 1.323 . . . . 0.0 108.904 -177.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 CA--C 1.498 -1.041 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -73.18 -50.31 23.27 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.232 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -118.72 155.37 31.19 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.63 79.76 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . 0.266 6.3 p80 -79.5 64.12 4.29 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 122.59 1.186 . . . . 0.0 113.321 -176.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -99.15 -22.53 15.62 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 113.377 -1.738 . . . . 0.0 107.261 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -106.42 140.8 38.77 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.775 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -120.21 162.68 18.96 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -112.31 139.96 47.42 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.312 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -103.23 136.85 42.25 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -138.98 -46.59 0.48 Allowed 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 13.3 m -71.34 -26.64 62.91 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.972 0.415 . . . . 0.0 111.369 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.37 -36.27 75.45 Favored 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 123.912 0.885 . . . . 0.0 110.912 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.06 -32.14 56.64 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 114.315 -1.312 . . . . 0.0 112.701 -173.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -84.83 -33.16 22.95 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 119.651 -0.82 . . . . 0.0 112.55 -171.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.89 97.71 7.53 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 119.324 -0.95 . . . . 0.0 108.582 173.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -93.39 -42.57 9.21 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.304 -171.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 52.5 73.2 0.42 Allowed Glycine 0 CA--C 1.523 0.59 0 O-C-N 124.187 0.929 . . . . 0.0 114.638 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.6 mt -83.27 123.4 38.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -96.25 122.62 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.655 0.74 . . . . 0.0 111.865 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 60.1 m -134.22 -164.65 1.53 Allowed 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.851 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.596 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 5.7 p -143.39 167.06 23.07 Favored 'General case' 0 N--CA 1.414 -2.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.61 113.37 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.596 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 61.4 mttm -112.49 171.0 7.78 Favored 'General case' 0 C--N 1.264 -3.134 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.458 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -95.15 118.78 32.53 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.151 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -113.18 94.22 4.78 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.77 -127.24 10.27 Favored Glycine 0 N--CA 1.428 -1.885 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -97.47 14.38 26.6 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.772 0.796 . . . . 0.0 110.116 174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -121.33 125.97 26.71 Favored Pre-proline 0 N--CA 1.405 -2.704 0 O-C-N 120.815 -1.178 . . . . 0.0 109.893 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.57 127.07 16.52 Favored 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 121.891 1.727 . . . . 0.0 109.67 171.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.84 145.87 48.72 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -114.85 140.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.99 128.41 33.23 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 123.653 0.596 . . . . 0.0 112.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.75 132.06 21.21 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -64.77 136.96 51.64 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.848 1.699 . . . . 0.0 110.998 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -63.77 -26.82 68.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -60.53 -37.13 80.21 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.264 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -33.99 48.17 Favored 'General case' 0 CA--C 1.482 -1.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.529 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.409 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.7 mmm -54.09 -50.96 65.64 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.413 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.63 -33.02 73.29 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.134 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -28.11 69.28 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.16 6.34 16.26 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.989 0.899 . . . . 0.0 110.058 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 66.9 t30 47.57 62.37 2.48 Favored 'General case' 0 C--O 1.25 1.111 0 C-N-CA 126.902 2.081 . . . . 0.0 113.799 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.97 156.19 28.94 Favored 'General case' 0 N--CA 1.392 -3.345 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 172.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -125.84 -179.43 4.67 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.52 138.96 21.42 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-O 120.875 0.369 . . . . 0.0 110.224 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 71.07 25.73 3.63 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 126.287 1.835 . . . . 0.0 111.687 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.437 ' CG ' ' HZ3' ' B' ' 49' ' ' LYS . 5.5 t0 -92.76 144.38 25.35 Favored 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 177.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -87.27 135.31 33.36 Favored 'General case' 0 C--N 1.281 -2.407 0 O-C-N 123.646 0.591 . . . . 0.0 111.428 -171.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.483 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -135.16 155.57 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.201 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -96.3 131.66 42.58 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.755 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.31 127.44 71.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -137.57 150.53 47.54 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.29 119.07 36.32 Favored 'General case' 1 N--CA 1.375 -4.22 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 175.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -143.06 128.69 16.41 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.733 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.471 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 58.77 22.67 10.33 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 122.261 1.029 . . . . 0.0 112.016 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.43 61.39 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.579 -0.82 . . . . 0.0 113.452 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 161.91 35.88 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 122.526 -0.396 . . . . 0.0 109.966 177.05 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -92.92 119.4 32.18 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-O 122.145 0.974 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -98.06 119.13 45.67 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.45 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.551 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.6 mm -109.33 106.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.909 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.429 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 33.1 tt0 -125.34 115.08 25.6 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 7.9 Cg_endo -57.66 150.95 58.25 Favored 'Trans proline' 0 N--CA 1.433 -2.081 0 C-N-CA 123.764 2.976 . . . . 0.0 111.739 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.483 HG23 ' HA ' ' B' ' 33' ' ' VAL . 22.8 t -91.84 113.35 27.08 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.049 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -87.26 126.05 34.59 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-O 122.25 1.024 . . . . 0.0 111.839 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.437 ' HZ3' ' CG ' ' B' ' 31' ' ' ASP . 0.0 OUTLIER -139.28 157.17 46.37 Favored 'General case' 0 N--CA 1.388 -3.546 0 C-N-CA 126.593 1.957 . . . . 0.0 106.713 177.28 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.294 -1.825 0 O-C-N 124.81 1.319 . . . . 0.0 110.719 -179.019 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 CA--C 1.509 -0.601 0 CA-C-O 120.946 0.403 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -142.18 127.22 18.43 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -80.17 -35.61 36.22 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.77 140.35 48.73 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.947 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -110.91 133.49 53.33 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.193 0.521 . . . . 0.0 110.54 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -114.94 11.44 16.57 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -96.57 90.93 5.52 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -120.38 -30.76 4.51 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.755 -176.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 69.1 100.34 0.06 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.785 0.834 . . . . 0.0 111.015 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -84.39 -38.02 20.78 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.388 0.613 . . . . 0.0 109.718 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 26.2 ttt -123.55 141.63 51.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.733 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' SER . . . . . 0.465 ' HB3' ' OD1' ' A' ' -2' ' ' ASP . 14.9 m -79.55 95.5 5.87 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -72.08 -51.98 18.97 Favored 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -174.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -77.32 -25.12 50.9 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.078 -173.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.465 ' OD1' ' HB3' ' A' ' -5' ' ' SER . 8.0 m-20 -62.04 -29.91 70.61 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.687 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -99.74 126.11 45.75 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -123.33 25.72 8.23 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 65.09 66.62 2.37 Favored Glycine 0 C--N 1.319 -0.392 0 C-N-CA 121.267 -0.492 . . . . 0.0 113.496 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.77 128.31 38.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -137.94 122.56 18.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 122.141 0.972 . . . . 0.0 110.886 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.8 m -132.34 -160.13 1.02 Allowed 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.264 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.559 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 12.7 p -150.57 155.34 39.24 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 118.042 0.383 . . . . 0.0 110.551 -178.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -82.52 122.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.559 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -111.3 166.91 10.7 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.62 119.88 39.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.578 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -105.54 93.05 4.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.62 -112.72 3.61 Favored Glycine 0 N--CA 1.431 -1.696 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -108.54 16.82 22.66 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -135.37 138.31 28.48 Favored Pre-proline 0 N--CA 1.417 -2.076 0 O-C-N 120.744 -1.223 . . . . 0.0 111.144 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -66.8 125.59 13.98 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 123.316 2.678 . . . . 0.0 111.482 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.64 142.26 45.16 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.196 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.01 139.4 35.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -80.69 126.09 30.85 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 123.665 0.603 . . . . 0.0 109.801 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -97.81 129.81 30.41 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 132.93 43.8 Favored 'Trans proline' 0 C--O 1.258 1.496 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 22' ' ' MET . . . -58.41 -29.51 66.14 Favored 'General case' 0 C--O 1.213 -0.863 0 C-N-CA 123.38 0.672 . . . . 0.0 111.006 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -54.26 -40.43 67.78 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 123.561 0.744 . . . . 0.0 111.428 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.419 ' HG ' HD22 ' B' ' 42' ' ' LEU . 3.8 mm? -78.89 -35.14 44.08 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.819 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.499 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 83.2 mmm -52.26 -45.79 65.53 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.427 -1.261 . . . . 0.0 109.075 173.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 46.8 mt-30 -80.83 -19.25 45.05 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.581 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -40.16 48.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.046 0.927 . . . . 0.0 109.484 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.5 -19.16 20.78 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.272 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 70.08 69.59 0.22 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 113.593 -1.64 . . . . 0.0 112.034 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.69 174.1 8.99 Favored 'General case' 0 N--CA 1.408 -2.57 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -142.54 -169.9 3.08 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.96 140.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-O 121.183 0.516 . . . . 0.0 112.146 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 t70 74.04 20.51 2.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.69 1.996 . . . . 0.0 110.154 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' CG ' ' HZ2' ' A' ' 49' ' ' LYS . 10.9 t70 -90.29 134.25 34.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -70.27 139.73 52.2 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.3 -176.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -133.56 151.09 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 CA-C-O 121.198 0.523 . . . . 0.0 110.789 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -95.09 133.85 38.44 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.903 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.473 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.2 mp -110.4 103.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.644 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 28.1 m-20 -97.43 124.92 41.79 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -99.32 131.26 45.47 Favored 'General case' 0 N--CA 1.38 -3.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -172.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -145.02 110.09 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.873 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 64.19 22.17 12.77 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 123.42 0.688 . . . . 0.0 112.462 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 -0.51 89.15 Favored Glycine 0 C--N 1.3 -1.45 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.145 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -87.73 133.37 33.86 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 HD22 ' HG ' ' B' ' 21' ' ' LEU . 23.1 mt -91.47 114.98 27.65 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 121.881 0.848 . . . . 0.0 111.813 -176.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.644 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.7 mp -99.65 121.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.171 176.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -107.5 114.54 46.53 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.032 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.178 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 41.8 tt0 -136.36 110.83 9.81 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.509 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 6.2 Cg_endo -48.32 157.71 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.771 2.981 . . . . 0.0 113.306 171.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.6 t -106.25 103.31 15.23 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.969 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -76.21 135.52 39.71 Favored 'General case' 0 C--N 1.276 -2.617 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.49 -173.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.482 ' HZ2' ' CG ' ' A' ' 31' ' ' ASP . 13.1 mptt -88.53 101.27 13.77 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.728 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--N 1.26 -3.304 0 CA-C-N 113.24 -1.8 . . . . 0.0 107.165 179.735 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 9.0 t30 . . . . . 0 CA--C 1.506 -0.733 0 CA-C-O 121.213 0.53 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -146.79 129.34 15.98 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 176.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -82.92 -30.02 28.73 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 30.0 m -131.09 147.7 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.978 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.699 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -118.94 130.79 55.9 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.966 0.413 . . . . 0.0 110.134 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -110.11 4.03 20.77 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -88.83 95.29 10.23 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.565 -176.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -123.84 -32.89 3.23 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.867 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 70.25 98.8 0.06 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.245 1.418 . . . . 0.0 111.012 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -79.52 -39.46 31.93 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.912 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 28.3 ttt -122.44 141.85 51.18 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.27 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 17.9 m -79.37 97.23 6.26 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -76.35 -42.45 44.74 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -172.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -87.49 -22.55 24.83 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.016 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.94 -38.31 78.72 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.08 0.467 . . . . 0.0 111.242 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -93.95 125.11 38.39 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -119.48 29.7 7.48 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 62.78 75.77 0.31 Allowed Glycine 0 CA--C 1.509 -0.3 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.85 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.82 128.69 40.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.15 138.08 46.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.436 0.636 . . . . 0.0 109.997 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.5 m -146.36 -159.28 1.0 Allowed 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.579 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.1 p -150.86 153.73 35.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 118.322 0.51 . . . . 0.0 110.903 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.46 123.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.579 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.7 mmtt -112.55 167.83 10.15 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -102.73 116.56 32.83 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.81 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -103.52 94.14 5.32 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -115.15 4.11 Favored Glycine 0 N--CA 1.423 -2.172 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.02 22.63 14.63 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.163 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -139.04 139.3 22.97 Favored Pre-proline 0 N--CA 1.417 -2.105 0 O-C-N 120.984 -1.072 . . . . 0.0 110.475 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.77 126.9 16.08 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 123.382 2.722 . . . . 0.0 111.665 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.71 140.66 46.14 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.23 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.17 138.34 38.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -80.93 125.94 30.76 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 123.584 0.553 . . . . 0.0 110.026 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -95.22 132.05 28.7 Favored Pre-proline 0 C--N 1.305 -1.329 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.36 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.45 129.23 27.34 Favored 'Trans proline' 0 C--O 1.256 1.388 0 C-N-CA 122.668 2.245 . . . . 0.0 111.39 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -59.58 -25.28 64.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.24 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -58.25 -37.68 75.39 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.952 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.404 ' HG ' HD22 ' A' ' 42' ' ' LEU . 3.8 mm? -80.59 -35.56 34.01 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 120.998 0.428 . . . . 0.0 110.529 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.418 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.4 mmm -51.63 -47.12 63.8 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.975 173.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.75 -24.49 52.98 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.981 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.9 62.14 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-O 122.052 0.93 . . . . 0.0 110.006 -171.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.59 -25.17 19.32 Favored 'General case' 0 C--N 1.284 -2.27 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.377 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 76.53 69.86 0.07 Allowed 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.478 -1.692 . . . . 0.0 112.18 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.6 178.22 5.54 Favored 'General case' 0 N--CA 1.402 -2.836 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.617 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -142.85 -172.12 3.59 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 123.246 0.618 . . . . 0.0 109.465 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 28.4 mm -72.13 138.75 20.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.904 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 74.58 25.88 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 126.197 1.799 . . . . 0.0 109.674 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.461 ' CG ' ' HZ2' ' B' ' 49' ' ' LYS . 16.3 t70 -94.91 135.2 36.71 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.48 138.04 48.67 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.267 1.027 . . . . 0.0 111.613 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.407 ' HA ' HG21 ' B' ' 47' ' ' VAL . 1.5 m -133.87 149.0 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-O 120.983 0.421 . . . . 0.0 109.905 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.484 ' HZ2' ' HB2' ' B' ' 34' ' ' LYS . 9.4 mtmp? -93.44 135.24 34.87 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.32 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.0 mp -109.42 105.19 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.221 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 173.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.615 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 12.7 m-20 -97.89 128.8 44.72 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -102.29 131.77 48.66 Favored 'General case' 0 N--CA 1.383 -3.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -172.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -145.91 110.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.903 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 62.87 21.47 12.85 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.578 1.151 . . . . 0.0 112.859 176.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.36 -0.47 85.47 Favored Glycine 0 C--N 1.305 -1.157 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.59 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -87.72 132.63 34.06 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.419 HD22 ' HG ' ' A' ' 21' ' ' LEU . 54.7 mt -90.57 113.08 25.01 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.854 0.835 . . . . 0.0 112.266 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.615 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.7 mp -98.01 120.56 47.5 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.371 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.9 mm -107.9 116.31 51.02 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-N 114.087 -1.415 . . . . 0.0 109.16 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.451 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.2 tt0 -139.51 110.67 7.53 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.675 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.7 Cg_endo -47.75 156.97 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.117 3.212 . . . . 0.0 113.6 172.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' B' ' 33' ' ' VAL . 21.8 t -107.87 94.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.795 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -66.93 140.28 57.75 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 114.697 -1.138 . . . . 0.0 113.223 -174.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.461 ' HZ2' ' CG ' ' B' ' 31' ' ' ASP . 12.8 mptt -91.56 101.82 14.47 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.523 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--N 1.27 -2.876 0 CA-C-N 113.675 -1.602 . . . . 0.0 108.663 -178.249 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 8.7 p30 . . . . . 0 CA--C 1.512 -0.485 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -104.88 171.26 7.42 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 110.634 -0.136 . . . . 0.0 110.634 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 68.22 31.17 5.36 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.112 0.965 . . . . 0.0 111.01 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 16.4 m -67.34 94.14 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.081 0.943 . . . . 0.0 112.238 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -91.11 -28.64 17.78 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.791 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -99.03 93.13 5.83 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -150.04 145.89 26.65 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -100.57 47.69 0.92 Allowed 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 122.083 0.944 . . . . 0.0 110.616 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 33.6 m170 72.75 -54.09 0.69 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.157 1.783 . . . . 0.0 112.668 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -140.98 154.36 46.0 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -81.56 66.37 7.08 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 33.5 t -76.17 102.43 5.77 Favored 'General case' 0 N--CA 1.412 -2.351 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.85 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 0' ' ' LYS . 30.5 t70 -67.8 -31.63 71.63 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.856 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.2 -45.57 92.69 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.373 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.11 -36.26 64.2 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 122.42 1.105 . . . . 0.0 110.526 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -93.52 23.51 4.57 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.896 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' -4' ' ' ASP . 33.3 tttp -92.47 -41.72 10.13 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.35 -0.844 . . . . 0.0 111.576 -172.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 67.37 -112.66 4.97 Favored Glycine 0 N--CA 1.426 -2.028 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.0 mt -103.42 124.97 57.97 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.533 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -103.57 100.72 10.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.408 1.099 . . . . 0.0 110.37 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -112.6 -165.12 0.96 Allowed 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -148.03 157.2 43.39 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -176.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.5 t -86.32 126.9 40.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -114.96 168.89 9.51 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -103.75 118.44 36.71 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.128 0.49 . . . . 0.0 111.412 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -104.69 96.32 6.5 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.1 -122.38 6.16 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 107.603 -2.199 . . . . 0.0 107.603 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.29 26.25 10.85 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.826 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -132.83 134.78 24.97 Favored Pre-proline 0 N--CA 1.427 -1.623 0 O-C-N 121.65 -0.656 . . . . 0.0 110.385 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -65.43 126.68 16.65 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 123.137 2.558 . . . . 0.0 111.787 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.04 144.66 50.18 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 p -121.35 139.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -80.57 126.94 31.87 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.872 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -87.7 127.58 57.68 Favored Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.89 132.82 49.82 Favored 'Trans proline' 0 C--O 1.252 1.179 0 C-N-CA 121.799 1.666 . . . . 0.0 111.11 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.92 68.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.382 0.61 . . . . 0.0 109.664 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -59.2 -39.72 83.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.021 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.12 -37.69 33.08 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-O 120.796 0.332 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -48.85 -49.48 39.17 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.083 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.92 -18.79 45.94 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.834 -1.076 . . . . 0.0 113.056 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -34.51 65.65 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.881 0.848 . . . . 0.0 109.638 -174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -96.52 -27.08 15.03 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.872 178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 70.53 68.88 0.2 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.749 1.619 . . . . 0.0 109.674 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.24 167.09 11.84 Favored 'General case' 0 N--CA 1.415 -2.2 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -129.37 -172.85 2.85 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -75.97 143.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.07 28.3 2.53 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 124.423 1.089 . . . . 0.0 110.812 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.52 132.15 44.18 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.48 139.23 57.02 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 124.377 1.071 . . . . 0.0 110.67 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.47 ' HA ' HG23 ' A' ' 47' ' ' VAL . 5.1 m -131.83 149.6 32.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 CA-C-O 120.764 0.316 . . . . 0.0 110.405 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -94.42 126.91 39.99 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.94 106.55 18.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.61 138.3 53.43 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.62 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.13 126.86 35.34 Favored 'General case' 0 N--CA 1.398 -3.064 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.73 123.87 4.83 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.527 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.749 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 60.37 20.74 10.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.8 1.24 . . . . 0.0 111.76 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.7 -2.17 79.73 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.625 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 156.86 19.88 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 117.899 0.849 . . . . 0.0 109.274 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.1 mt -90.99 117.6 29.71 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-O 122.121 0.962 . . . . 0.0 109.051 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -87.53 100.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 CA-C-N 113.233 -1.803 . . . . 0.0 106.911 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 60.4 mt -111.56 104.76 17.57 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.316 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.104 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 39.4 tt0 -120.5 108.43 37.61 Favored Pre-proline 0 C--N 1.282 -2.346 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.735 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 11.4 Cg_endo -54.69 150.58 35.44 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 121.968 1.779 . . . . 0.0 110.235 169.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 33' ' ' VAL . 10.6 t -100.31 107.29 20.73 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.549 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.213 -173.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -74.59 147.29 41.81 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.433 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -103.24 96.89 7.07 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 C--N 1.286 -2.153 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 -179.677 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -109.56 175.22 5.53 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 65.48 34.34 8.06 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.112 0.882 . . . . 0.0 110.018 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 17.6 m -73.25 93.4 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.949 0.88 . . . . 0.0 111.635 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -90.4 -25.83 20.19 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -101.48 96.63 7.26 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -153.22 143.47 22.38 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -95.7 46.0 1.09 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.75 0.786 . . . . 0.0 111.06 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 35.3 m170 72.82 -59.42 0.57 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.824 1.649 . . . . 0.0 112.189 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -134.01 156.06 48.87 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -81.91 63.52 6.19 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.572 0.701 . . . . 0.0 109.873 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 45.5 t -72.12 107.18 4.66 Favored 'General case' 0 N--CA 1.42 -1.94 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.971 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . 0.422 ' O ' ' HB2' ' B' ' 0' ' ' LYS . 13.3 t70 -71.88 -34.29 69.06 Favored 'General case' 0 C--O 1.202 -1.444 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.52 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -55.56 -44.65 77.02 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.494 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -79.56 -26.35 41.42 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.259 0.552 . . . . 0.0 111.382 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -103.88 19.42 20.01 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.41 1.1 . . . . 0.0 110.171 -174.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' B' ' -4' ' ' ASP . 36.6 tttp -88.12 -41.46 13.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.278 -0.889 . . . . 0.0 111.312 -172.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 69.14 -109.5 2.92 Favored Glycine 0 N--CA 1.425 -2.058 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.43 120.81 59.4 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.563 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -97.27 104.37 16.38 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 122.434 1.111 . . . . 0.0 110.548 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.4 m -114.06 -164.78 0.95 Allowed 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.894 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -150.48 156.71 41.97 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -85.53 124.85 40.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -110.88 172.0 7.13 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -108.06 115.35 29.97 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -102.11 94.83 5.96 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.84 5.3 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -111.46 28.06 9.09 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.4 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.3 m -136.73 136.14 21.23 Favored Pre-proline 0 N--CA 1.417 -2.098 0 O-C-N 121.626 -0.672 . . . . 0.0 110.292 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.83 126.43 15.95 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 123.067 2.511 . . . . 0.0 111.513 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 143.83 50.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.734 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -121.87 138.15 53.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -81.74 123.25 28.59 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.622 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -84.06 128.25 63.46 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.31 133.85 55.13 Favored 'Trans proline' 0 C--O 1.251 1.126 0 C-N-CA 121.872 1.715 . . . . 0.0 111.392 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -27.85 68.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.393 0.616 . . . . 0.0 109.613 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -59.78 -38.91 83.2 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.395 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.77 -37.92 26.44 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.044 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.1 mmm -49.42 -49.33 45.45 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.372 1.045 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -82.09 -18.2 43.86 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.854 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.03 73.72 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 122.083 0.944 . . . . 0.0 109.117 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -95.12 -25.46 16.42 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.061 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 67.93 70.54 0.33 Allowed 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 125.547 1.539 . . . . 0.0 109.544 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.87 169.02 10.22 Favored 'General case' 0 N--CA 1.411 -2.415 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -130.51 -175.68 3.73 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.35 145.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.45 27.65 3.03 Favored 'General case' 0 CA--C 1.49 -1.347 0 C-N-CA 124.232 1.013 . . . . 0.0 111.267 -177.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -100.27 136.39 40.23 Favored 'General case' 0 N--CA 1.423 -1.794 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.73 138.72 50.78 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 124.17 0.988 . . . . 0.0 110.896 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.463 ' HA ' HG23 ' B' ' 47' ' ' VAL . 4.6 m -131.23 149.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -92.86 128.73 38.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.541 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.76 105.96 17.31 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -127.6 136.75 52.09 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.99 128.28 35.08 Favored 'General case' 0 N--CA 1.397 -3.084 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -146.41 123.47 3.74 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.906 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 57.02 29.4 16.38 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.947 0.899 . . . . 0.0 112.156 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.42 -3.77 86.74 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.121 -0.561 . . . . 0.0 114.205 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 154.61 25.19 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 117.917 0.858 . . . . 0.0 109.378 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.79 116.76 26.16 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-O 121.856 0.836 . . . . 0.0 108.929 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mm -86.23 100.98 9.95 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.067 0 CA-C-N 113.608 -1.633 . . . . 0.0 106.853 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -111.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.942 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.41 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 36.4 tt0 -125.64 109.42 25.77 Favored Pre-proline 0 C--N 1.275 -2.67 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.659 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 10.5 Cg_endo -53.52 150.52 27.13 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 C-N-CA 122.186 1.924 . . . . 0.0 110.65 170.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' B' ' 33' ' ' VAL . 12.5 t -100.25 106.23 18.89 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.362 0 CA-C-N 115.432 -0.803 . . . . 0.0 108.876 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -75.28 147.93 39.82 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.407 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -105.28 97.15 7.03 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--N 1.283 -2.323 0 CA-C-N 114.314 -1.312 . . . . 0.0 107.996 -177.505 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -120.45 146.54 46.14 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -88.5 76.26 8.25 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.62 126.61 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.945 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 28.1 m170 63.21 14.0 7.38 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.826 1.251 . . . . 0.0 111.117 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 61.78 18.99 10.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.869 0.868 . . . . 0.0 110.473 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -98.89 70.67 1.85 Allowed 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 122.114 0.959 . . . . 0.0 108.452 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -97.99 -5.96 33.01 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.634 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -148.57 153.29 38.17 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -124.51 130.8 53.12 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 123.251 0.344 . . . . 0.0 110.247 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 20.8 ptp -51.99 107.13 0.18 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.243 0.964 . . . . 0.0 109.169 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 12.1 m -90.01 41.74 1.06 Allowed 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.911 -170.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.75 -36.03 24.34 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 125.515 1.526 . . . . 0.0 113.053 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.21 -38.92 91.95 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.578 -175.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -95.77 -64.05 1.09 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.575 0.702 . . . . 0.0 109.238 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.11 101.11 13.17 Favored 'General case' 0 CA--C 1.487 -1.452 0 N-CA-C 105.82 -1.919 . . . . 0.0 105.82 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -69.81 -42.23 73.97 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.7 -168.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.475 ' O ' ' HD2' ' A' ' 3' ' ' HIS . . . 50.69 57.22 11.07 Favored Glycine 0 N--CA 1.438 -1.177 0 O-C-N 124.565 1.166 . . . . 0.0 113.191 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.4 mt -76.95 109.28 11.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 175.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.475 ' HD2' ' O ' ' A' ' 1' ' ' GLY . 12.7 m-70 -90.81 119.54 31.11 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.297 0.57 . . . . 0.0 111.871 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.421 ' HG ' HD13 ' B' ' 35' ' ' ILE . 97.0 p -110.18 -143.66 0.39 Allowed 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.477 ' HA ' ' HA ' ' B' ' 32' ' ' GLU . 26.2 t -160.91 137.94 8.93 Favored 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.419 ' HB ' ' OD1' ' B' ' 31' ' ' ASP . 88.0 t -80.16 115.73 23.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 174.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -110.85 176.34 5.07 Favored 'General case' 0 N--CA 1.413 -2.281 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.94 115.62 30.12 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.786 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -105.56 96.08 6.26 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.86 -122.47 5.86 Favored Glycine 0 N--CA 1.431 -1.643 0 N-CA-C 107.173 -2.371 . . . . 0.0 107.173 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -110.72 26.99 10.1 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 117.395 0.597 . . . . 0.0 110.136 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 m -129.24 131.84 23.92 Favored Pre-proline 0 N--CA 1.417 -2.092 0 O-C-N 121.787 -0.571 . . . . 0.0 109.876 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.508 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.8 Cg_endo -64.79 122.05 9.77 Favored 'Trans proline' 0 C--N 1.317 -1.109 0 C-N-CA 122.499 2.133 . . . . 0.0 110.908 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -127.42 132.82 50.03 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.814 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.4 t -104.19 137.75 31.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -78.75 116.46 19.11 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 123.768 0.667 . . . . 0.0 109.551 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.2 mp -95.89 139.95 22.07 Favored Pre-proline 0 C--N 1.305 -1.369 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -69.09 121.63 8.47 Favored 'Trans proline' 0 C--O 1.255 1.357 0 C-N-CA 121.345 1.364 . . . . 0.0 110.117 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.44 -24.3 67.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.25 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -55.09 -28.48 52.76 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.597 1.159 . . . . 0.0 111.986 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.22 -33.04 26.2 Favored 'General case' 0 CA--C 1.49 -1.346 0 CA-C-O 121.505 0.669 . . . . 0.0 111.019 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtp -61.93 -45.65 92.75 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -68.94 -24.45 64.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.051 -1.431 . . . . 0.0 112.208 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.92 85.42 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.1 -20.72 21.72 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.179 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 75.08 70.0 0.09 Allowed 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.807 1.243 . . . . 0.0 111.019 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' C ' HD21 ' A' ' 28' ' ' ASN . 4.4 pp -134.7 175.2 9.77 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.56 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.402 HD21 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -136.44 167.81 20.64 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 122.672 0.389 . . . . 0.0 110.198 -178.063 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.4 mm -48.88 148.51 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.431 0 O-C-N 124.864 1.353 . . . . 0.0 111.139 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 t70 87.31 10.94 0.14 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.471 1.509 . . . . 0.0 109.969 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . 8.1 p-10 -79.6 -174.4 4.27 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HA ' ' HA ' ' B' ' 5' ' ' SER . 9.2 pt-20 -131.34 159.47 37.84 Favored 'General case' 0 C--N 1.286 -2.167 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.022 -175.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.547 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 1.6 m -133.89 145.12 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.929 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.082 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -93.57 104.93 17.02 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.571 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.422 HD12 ' HG ' ' B' ' 4' ' ' SER . 5.1 mp -87.3 121.2 37.68 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.37 141.25 48.83 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.65 130.76 45.17 Favored 'General case' 0 N--CA 1.383 -3.79 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.57 107.17 2.24 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.816 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.708 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 29.4 t70 48.99 62.49 2.57 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.48 1.112 . . . . 0.0 113.346 176.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.93 -12.02 9.86 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.358 0.903 . . . . 0.0 115.358 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.54 ' HD3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -115.48 150.19 36.9 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 118.61 1.205 . . . . 0.0 110.915 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -97.41 126.69 42.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.792 0.806 . . . . 0.0 109.114 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mm -91.82 110.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.229 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -111.77 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.875 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.313 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -118.39 101.47 51.06 Favored Pre-proline 0 C--N 1.298 -1.653 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -55.7 142.73 82.2 Favored 'Trans proline' 0 C--O 1.247 0.974 0 C-N-CA 123.088 2.525 . . . . 0.0 112.676 172.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.08 115.59 5.6 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.452 0 CA-C-N 113.238 -1.801 . . . . 0.0 111.193 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -74.39 154.12 38.95 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-O 122.242 1.02 . . . . 0.0 112.47 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.426 ' HG3' ' HA ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -134.18 140.15 46.33 Favored 'General case' 1 N--CA 1.378 -4.059 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 176.648 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.283 -2.302 0 O-C-N 125.174 1.546 . . . . 0.0 107.887 -165.085 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 120.743 0.306 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -115.68 150.04 37.4 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -87.12 85.3 7.21 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 11.0 p -75.64 124.39 33.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.365 -175.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 28.7 m170 65.53 11.91 7.79 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.684 1.194 . . . . 0.0 110.634 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 66.83 11.25 8.16 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.6 1.16 . . . . 0.0 110.491 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -91.9 73.45 5.67 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-O 121.934 0.873 . . . . 0.0 108.956 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -102.98 0.25 31.9 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 122.41 1.1 . . . . 0.0 108.283 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -150.27 154.58 38.16 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -127.08 134.65 50.22 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 22.0 ptp -58.85 107.48 0.53 Allowed 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 124.456 1.097 . . . . 0.0 109.163 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 17.0 m -87.42 48.87 1.71 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.605 -171.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -57.84 -30.22 65.6 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.24 1.416 . . . . 0.0 112.354 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.15 -42.56 68.98 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.122 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -94.46 -58.19 2.27 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.17 0.509 . . . . 0.0 110.005 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.45 100.47 13.23 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 105.747 -1.946 . . . . 0.0 105.747 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -66.44 -42.73 87.21 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.55 -168.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 49.53 60.55 6.26 Favored Glycine 0 N--CA 1.435 -1.399 0 O-C-N 124.416 1.073 . . . . 0.0 112.989 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 76.8 mt -79.86 110.13 15.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 174.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.547 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 11.8 m170 -90.12 118.19 29.46 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.102 0.477 . . . . 0.0 111.602 -176.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.543 ' OG ' HG23 ' A' ' 33' ' ' VAL . 93.7 p -107.7 -148.95 0.43 Allowed 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 31.4 t -156.48 138.24 14.24 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.409 ' HB ' ' OD1' ' A' ' 31' ' ' ASP . 92.3 t -80.24 114.7 21.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -110.58 169.74 8.55 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -101.97 118.84 37.75 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.158 0.504 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -109.49 97.78 7.28 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 -119.54 5.53 Favored Glycine 0 N--CA 1.434 -1.475 0 N-CA-C 108.173 -1.971 . . . . 0.0 108.173 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -111.18 25.27 11.92 Favored 'General case' 0 C--N 1.288 -2.081 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.935 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -129.14 134.71 26.61 Favored Pre-proline 0 N--CA 1.412 -2.342 0 O-C-N 121.641 -0.662 . . . . 0.0 109.818 -175.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 15.1 Cg_endo -66.42 121.27 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.635 2.224 . . . . 0.0 109.869 172.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -126.81 132.14 51.08 Favored 'General case' 0 N--CA 1.412 -2.36 0 CA-C-O 121.259 0.552 . . . . 0.0 109.755 -178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 91.5 t -102.58 137.92 28.8 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -79.35 113.26 17.35 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 123.625 0.578 . . . . 0.0 109.742 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.508 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.2 mp -93.6 137.6 23.25 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -67.61 121.87 9.0 Favored 'Trans proline' 0 C--O 1.254 1.277 0 C-N-CA 121.415 1.41 . . . . 0.0 110.078 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -24.0 67.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 111.484 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -54.43 -27.75 39.25 Favored 'General case' 0 CA--C 1.575 1.923 0 C-N-CA 124.891 1.277 . . . . 0.0 111.919 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.6 -33.15 23.41 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 121.481 0.658 . . . . 0.0 111.17 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.401 ' O ' ' HG ' ' B' ' 27' ' ' LEU . 78.3 mtp -61.57 -44.46 96.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.9 -26.4 65.08 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.794 -1.548 . . . . 0.0 111.979 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.12 71.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.296 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.48 -15.68 21.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.966 -0.693 . . . . 0.0 109.332 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 71.31 68.87 0.17 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.411 1.084 . . . . 0.0 112.112 -173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' B' ' 22' ' ' MET . 4.5 pp -134.95 174.97 10.0 Favored 'General case' 0 N--CA 1.409 -2.486 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.821 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 171.43 14.51 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.042 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.9 mm -52.14 148.21 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.246 0 O-C-N 124.734 1.271 . . . . 0.0 111.422 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.429 ' O ' ' HD2' ' B' ' 49' ' ' LYS . 25.4 t70 88.77 10.72 0.09 Allowed 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 125.865 1.666 . . . . 0.0 110.262 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' HB ' ' A' ' 6' ' ' VAL . 8.5 p-10 -79.8 -174.82 4.57 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.477 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 9.2 pt-20 -130.08 158.71 38.89 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.109 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 3' ' ' HIS . 1.4 m -134.71 143.35 37.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.04 -1.064 . . . . 0.0 109.716 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -92.24 103.46 15.92 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.001 0.813 . . . . 0.0 110.344 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.421 HD13 ' HG ' ' A' ' 4' ' ' SER . 4.3 mp -85.39 118.69 32.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -130.53 139.78 50.49 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 174.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.79 130.38 44.06 Favored 'General case' 0 N--CA 1.388 -3.547 0 N-CA-C 107.346 -1.354 . . . . 0.0 107.346 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.13 106.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.677 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.007 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.555 ' O ' ' HD3' ' B' ' 41' ' ' LYS . 31.3 t70 48.89 62.77 2.42 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.358 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.0 -15.12 8.87 Favored Glycine 0 C--N 1.306 -1.137 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.555 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 0.0 OUTLIER -114.87 151.52 33.8 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-N 118.29 1.045 . . . . 0.0 111.375 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.57 126.06 41.48 Favored 'General case' 0 N--CA 1.416 -2.145 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.188 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.31 110.91 23.08 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.366 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.24 104.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.858 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.25 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -119.22 104.66 45.67 Favored Pre-proline 0 C--N 1.289 -2.031 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.721 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -55.74 144.54 75.84 Favored 'Trans proline' 0 C--O 1.252 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.679 171.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.69 115.59 4.85 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.474 0 CA-C-N 113.443 -1.708 . . . . 0.0 111.472 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -74.46 153.78 39.01 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-O 121.953 0.882 . . . . 0.0 112.476 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.429 ' HD2' ' O ' ' B' ' 30' ' ' ASP . 0.0 OUTLIER -135.0 137.86 43.43 Favored 'General case' 1 N--CA 1.379 -4.022 0 N-CA-C 104.678 -2.342 . . . . 0.0 104.678 175.239 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--N 1.284 -2.272 0 O-C-N 124.954 1.409 . . . . 0.0 108.445 -164.387 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 . . . . . 0 CA--C 1.494 -1.193 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -136.78 178.7 6.87 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -84.21 104.09 13.96 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 8.6 p -82.73 -31.72 9.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 60.53 102.6 0.02 OUTLIER 'General case' 0 C--O 1.245 0.855 0 C-N-CA 125.246 1.418 . . . . 0.0 112.825 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -130.57 162.3 29.62 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 174.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . 0.473 ' HB2' ' O ' ' B' ' 50' ' ' GLU . 19.7 m80 -89.49 154.0 20.36 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 74.5 m80 60.32 76.74 0.35 Allowed 'General case' 0 C--O 1.244 0.804 0 O-C-N 124.183 0.927 . . . . 0.0 112.192 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -71.65 124.06 23.9 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -128.63 132.43 48.13 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-O 121.161 0.505 . . . . 0.0 110.953 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 83.3 mtp -95.15 -4.13 46.62 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.036 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 21.9 m -79.3 73.63 5.92 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.367 178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -84.91 -38.54 19.26 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.987 0.899 . . . . 0.0 109.467 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -104.54 -37.06 7.29 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.82 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -55.26 -44.59 75.72 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.925 1.29 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . 0.472 ' CG ' ' HZ3' ' B' ' 34' ' ' LYS . 11.2 t70 -123.29 -170.5 2.13 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -175.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt 55.41 33.66 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.253 1.021 . . . . 0.0 112.74 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -42.56 -67.71 0.86 Allowed Glycine 0 N--CA 1.476 1.349 0 O-C-N 124.307 1.004 . . . . 0.0 113.56 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 61.2 mt -132.8 117.91 31.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 173.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -95.1 101.35 13.09 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 122.303 1.049 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 m -106.01 -164.01 0.98 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 113.955 -1.475 . . . . 0.0 110.461 -176.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -157.76 171.99 19.31 Favored 'General case' 0 N--CA 1.423 -1.813 0 CA-C-O 120.81 0.338 . . . . 0.0 110.268 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.6 t -115.93 118.14 57.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -113.75 173.41 6.44 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.637 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -102.94 116.56 32.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.552 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -109.12 98.38 7.84 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.98 -129.07 12.44 Favored Glycine 0 N--CA 1.424 -2.103 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -174.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -95.99 13.68 26.18 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-N 117.45 0.625 . . . . 0.0 110.548 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 m -123.43 127.46 25.56 Favored Pre-proline 0 N--CA 1.404 -2.76 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.591 -170.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -61.61 125.25 16.29 Favored 'Trans proline' 0 N--CA 1.44 -1.66 0 C-N-CA 122.0 1.8 . . . . 0.0 109.181 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -123.47 139.72 53.73 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-O 120.931 0.396 . . . . 0.0 110.802 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' B' ' 14' ' ' ALA . 92.4 t -104.63 130.05 56.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -83.05 107.66 15.79 Favored 'General case' 0 N--CA 1.436 -1.133 0 O-C-N 123.63 0.582 . . . . 0.0 110.53 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.5 mm -87.96 126.82 59.94 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -62.96 132.56 37.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 121.601 1.534 . . . . 0.0 110.499 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.09 68.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -57.93 -39.93 79.21 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.083 0.953 . . . . 0.0 110.414 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.98 -33.85 44.7 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.919 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.0 mmm -55.32 -46.55 76.31 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.677 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.21 -36.6 79.78 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.99 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.78 69.21 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.16 0.505 . . . . 0.0 112.204 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 81.0 mt -99.32 -8.36 25.0 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.273 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.4 t30 59.93 66.94 0.92 Allowed 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 125.88 1.672 . . . . 0.0 113.531 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -130.24 171.53 12.79 Favored 'General case' 0 N--CA 1.406 -2.65 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.285 172.744 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -137.78 -175.24 4.02 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.69 139.46 19.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.306 0.574 . . . . 0.0 110.11 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 64.09 50.38 2.47 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 126.367 1.867 . . . . 0.0 109.556 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -110.32 132.83 53.83 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 170.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.4 tt0 -83.37 132.89 34.97 Favored 'General case' 0 N--CA 1.414 -2.261 0 O-C-N 123.56 0.537 . . . . 0.0 110.0 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.514 ' HA ' HG21 ' A' ' 47' ' ' VAL . 4.0 m -129.78 157.11 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.162 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.41 ' HZ3' ' CG ' ' B' ' -1' ' ' ASP . 38.1 mtmt -93.27 139.15 30.95 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.636 176.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 11.4 mm -115.57 99.33 8.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 171.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -104.54 136.6 43.8 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 38' ' ' VAL . 1.1 tm? -94.4 125.95 39.36 Favored 'General case' 0 N--CA 1.388 -3.557 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 45.1 t -148.06 132.3 9.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 57.3 25.03 10.67 Favored 'General case' 0 N--CA 1.499 2.001 0 C-N-CA 123.814 0.846 . . . . 0.0 112.792 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.56 17.68 79.7 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.173 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 12.8 ptpt -129.76 166.25 20.26 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 117.889 0.844 . . . . 0.0 109.412 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt -93.94 116.79 29.27 Favored 'General case' 0 CA--C 1.48 -1.72 0 CA-C-O 121.941 0.877 . . . . 0.0 109.269 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.9 119.97 52.06 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.965 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.65 122.49 69.58 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.978 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.61 149.91 74.87 Favored Pre-proline 0 C--N 1.287 -2.121 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.13 170.02 12.46 Favored 'Trans proline' 0 N--CA 1.409 -3.472 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.514 HG21 ' HA ' ' A' ' 33' ' ' VAL . 25.4 t -107.05 116.84 51.66 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.89 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -73.03 126.2 29.42 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.696 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -90.57 96.18 10.52 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--N 1.28 -2.43 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 179.608 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.495 -1.169 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -148.81 177.31 9.64 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -85.19 97.83 10.13 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.08 -31.18 18.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 60.61 101.14 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.812 1.645 . . . . 0.0 112.58 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -130.17 162.44 28.87 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -90.18 151.57 21.5 Favored 'General case' 0 C--N 1.279 -2.482 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 64.8 m80 64.51 79.87 0.24 Allowed 'General case' 0 C--N 1.309 -1.17 0 O-C-N 124.616 1.198 . . . . 0.0 112.284 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -75.31 119.04 18.87 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 175.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -125.54 134.87 51.83 Favored 'General case' 0 C--N 1.28 -2.454 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.697 -173.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 81.9 mtp -101.99 6.28 41.12 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.937 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 12.1 m -84.74 49.04 1.63 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.144 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.27 -42.93 99.77 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -107.05 -29.39 9.43 Favored 'General case' 0 C--N 1.288 -2.087 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.828 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.36 -49.94 75.87 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.895 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . 0.41 ' CG ' ' HZ3' ' A' ' 34' ' ' LYS . 10.2 t70 -120.12 -169.86 1.86 Allowed 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -174.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt 55.47 35.19 24.56 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.674 0.79 . . . . 0.0 112.11 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -46.59 -66.5 1.73 Allowed Glycine 0 N--CA 1.471 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 112.895 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . 0.44 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 61.8 mt -132.42 110.86 16.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 173.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -86.73 113.08 22.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.864 0.84 . . . . 0.0 108.759 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.441 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 57.6 m -118.98 -166.17 1.22 Allowed 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.642 -175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.5 p -156.98 170.87 21.54 Favored 'General case' 0 N--CA 1.417 -2.083 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 90.6 t -115.28 122.95 70.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -118.26 175.11 5.85 Favored 'General case' 0 C--N 1.274 -2.676 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.838 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -103.81 118.57 37.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.923 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -113.2 99.27 7.69 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.71 -129.4 12.01 Favored Glycine 0 N--CA 1.433 -1.532 0 N-CA-C 107.985 -2.046 . . . . 0.0 107.985 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -97.42 14.61 25.72 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.293 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -122.51 128.03 25.6 Favored Pre-proline 0 N--CA 1.404 -2.746 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.69 -171.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.63 124.44 14.61 Favored 'Trans proline' 0 N--CA 1.442 -1.551 0 C-N-CA 122.265 1.977 . . . . 0.0 109.417 171.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 14' ' ' ALA . . . -121.67 140.09 52.72 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-O 120.982 0.42 . . . . 0.0 110.841 -176.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 85.7 t -106.47 129.5 59.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.94 113.12 17.86 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 123.754 0.659 . . . . 0.0 109.946 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.94 124.93 54.9 Favored Pre-proline 0 C--N 1.302 -1.48 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.4 129.01 26.59 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.769 1.646 . . . . 0.0 110.488 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.94 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.071 0.549 . . . . 0.0 111.277 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -56.67 -38.53 72.36 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.757 0.823 . . . . 0.0 110.66 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.74 -34.12 40.23 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.082 0.467 . . . . 0.0 110.853 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 83.4 mmm -55.22 -46.77 75.95 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.524 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.4 -38.46 87.54 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.161 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.77 -32.26 70.65 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.653 0.739 . . . . 0.0 112.163 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.425 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 76.0 mt -100.02 -2.5 34.3 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.493 0.663 . . . . 0.0 110.147 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 55.38 66.04 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 125.746 1.618 . . . . 0.0 113.734 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.425 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -130.44 164.15 25.4 Favored 'General case' 0 N--CA 1.4 -2.937 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.089 172.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -131.23 -176.21 3.94 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.71 139.43 20.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.278 0.561 . . . . 0.0 110.473 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.8 46.03 3.14 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 126.505 1.922 . . . . 0.0 110.657 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -104.14 130.62 51.88 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -81.33 130.7 35.14 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.497 ' HA ' HG21 ' B' ' 47' ' ' VAL . 3.4 m -130.97 153.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.472 ' HZ3' ' CG ' ' A' ' -1' ' ' ASP . 40.1 mtmt -90.75 141.27 28.97 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.963 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 12.1 mm -116.77 98.7 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 171.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.12 135.83 44.87 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.411 HD12 ' N ' ' B' ' 38' ' ' VAL . 0.9 OUTLIER -93.33 125.94 38.19 Favored 'General case' 0 N--CA 1.384 -3.735 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 177.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 32.2 t -146.87 132.98 13.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -177.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 57.07 24.8 10.05 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.041 0.936 . . . . 0.0 112.571 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.65 16.96 78.42 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.792 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 13.5 ptpt -130.06 168.31 16.94 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 117.514 0.657 . . . . 0.0 109.447 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -95.15 115.02 26.88 Favored 'General case' 0 CA--C 1.483 -1.615 0 CA-C-O 121.806 0.812 . . . . 0.0 109.7 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.4 117.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 114.189 -1.369 . . . . 0.0 107.971 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.9 mt -117.23 122.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.728 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.79 151.6 79.11 Favored Pre-proline 0 C--N 1.279 -2.498 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.34 170.32 11.98 Favored 'Trans proline' 0 N--CA 1.406 -3.671 0 N-CA-C 108.87 -1.242 . . . . 0.0 108.87 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' B' ' 33' ' ' VAL . 37.1 t -106.86 119.45 56.45 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.999 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -75.51 127.02 32.18 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -92.46 96.07 10.02 Favored 'General case' 0 N--CA 1.416 -2.159 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' -10' ' ' HIS . 40.1 mt-10 . . . . . 0 C--N 1.281 -2.402 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 CA--C 1.51 -0.579 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -103.44 -41.36 6.03 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.123 0.487 . . . . 0.0 109.709 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -93.53 87.31 5.49 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -174.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 35.7 m -91.43 -8.76 10.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -82.84 62.69 6.56 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.77 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -102.08 142.94 32.56 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.965 174.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -89.56 -24.21 21.79 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.699 0.762 . . . . 0.0 109.275 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -104.49 103.34 13.02 Favored 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -83.97 86.44 7.18 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.412 0.625 . . . . 0.0 109.961 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -128.59 0.56 5.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 24.1 ptm -79.03 102.85 8.59 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.796 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 49.9 m -137.78 -54.45 0.66 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.39 172.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' A' ' -1' ' ' ASP . 25.1 t70 -83.12 -15.45 50.7 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.829 0.823 . . . . 0.0 109.814 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.41 -48.41 81.87 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.491 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -99.64 -41.95 7.1 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.674 -175.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' -4' ' ' ASP . 31.0 t70 -119.62 138.7 53.07 Favored 'General case' 0 C--N 1.307 -1.244 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.407 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -122.17 34.72 5.08 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.637 0.732 . . . . 0.0 110.29 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 114.18 100.22 2.36 Favored Glycine 0 N--CA 1.419 -2.453 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.541 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 78.5 mt -74.47 126.94 35.93 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.9 123.94 48.78 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 m -137.6 -166.3 1.92 Allowed 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 59.8 p -148.82 151.36 34.63 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 118.205 0.457 . . . . 0.0 110.336 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.63 117.68 21.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 71.6 mmtt -108.93 170.05 8.29 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -100.67 122.56 43.54 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -112.53 95.95 5.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.79 -124.57 8.66 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -101.02 20.43 15.56 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -134.49 137.47 27.84 Favored Pre-proline 0 N--CA 1.417 -2.109 0 O-C-N 121.698 -0.626 . . . . 0.0 110.294 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 23.3 Cg_endo -68.87 129.75 19.13 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.864 2.376 . . . . 0.0 111.091 174.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.61 140.69 49.47 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.86 128.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -74.69 132.81 41.97 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.442 0.464 . . . . 0.0 110.914 178.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mm -98.7 129.92 28.97 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -61.16 131.28 35.91 Favored 'Trans proline' 0 C--O 1.251 1.165 0 C-N-CA 121.918 1.746 . . . . 0.0 111.474 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.72 66.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.111 0.564 . . . . 0.0 110.943 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -57.05 -42.98 81.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.235 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.04 -33.37 57.35 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.305 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.3 mmm -51.31 -53.0 40.17 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.629 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.91 -32.61 71.01 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.337 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.59 71.79 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.646 0.736 . . . . 0.0 110.829 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.421 HD22 ' O ' ' B' ' 40' ' ' GLY . 83.1 mt -92.82 -10.16 37.81 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.714 -179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 64.22 27.09 13.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.595 1.158 . . . . 0.0 111.362 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.93 178.05 5.89 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -144.03 -175.95 4.81 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -176.331 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.0 mm -77.77 136.18 24.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 79.92 14.3 0.92 Allowed 'General case' 0 CA--C 1.483 -1.618 0 C-N-CA 125.645 1.578 . . . . 0.0 111.199 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.8 t70 -76.42 115.83 16.53 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' B' ' 4' ' ' SER . 27.2 tt0 -75.14 132.44 41.2 Favored 'General case' 0 N--CA 1.405 -2.677 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.0 m -124.97 158.56 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 C-N-CA 120.106 -0.638 . . . . 0.0 112.201 -174.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.476 ' HG3' HG23 ' A' ' 47' ' ' VAL . 22.3 mtpp -94.45 109.79 21.63 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.198 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.18 98.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 170.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.41 122.59 40.64 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.77 128.51 45.86 Favored 'General case' 0 N--CA 1.389 -3.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.74 108.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.22 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 66.21 21.21 11.1 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.885 0.874 . . . . 0.0 111.496 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.461 ' O ' HD22 ' B' ' 25' ' ' LEU . . . 95.57 -14.96 64.1 Favored Glycine 0 C--N 1.303 -1.298 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.311 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -86.08 140.13 30.52 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.12 140.08 35.92 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.388 0.613 . . . . 0.0 110.531 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -118.28 137.4 52.36 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.2 mm -113.51 107.57 23.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-O 121.869 0.842 . . . . 0.0 110.023 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -131.91 136.37 28.19 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -85.47 169.99 9.36 Favored 'Trans proline' 0 N--CA 1.407 -3.607 0 CA-C-N 120.251 1.125 . . . . 0.0 109.827 -176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.476 HG23 ' HG3' ' A' ' 34' ' ' LYS . 44.1 t -95.2 93.23 3.71 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.679 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -87.61 130.14 34.87 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 113.755 -1.566 . . . . 0.0 108.323 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 140.77 43.71 Favored 'General case' 1 N--CA 1.366 -4.643 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 178.137 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 . . . . . 0 C--N 1.26 -3.315 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.389 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -100.22 -39.42 8.05 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.611 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -90.73 73.7 6.66 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 122.254 1.026 . . . . 0.0 113.025 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.93 -3.38 8.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 122.376 1.084 . . . . 0.0 108.554 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -90.37 74.19 6.95 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.197 -1.365 . . . . 0.0 111.682 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -113.1 140.61 47.73 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.625 175.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -86.06 -29.77 23.15 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -101.86 104.36 15.09 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -83.1 80.09 9.16 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.838 0.828 . . . . 0.0 111.297 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -122.52 9.74 9.69 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 24.6 ptm -89.26 95.97 10.52 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.934 0.873 . . . . 0.0 111.634 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 49.2 m -130.06 -51.12 1.12 Allowed 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.777 -0.577 . . . . 0.0 109.904 172.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . 0.46 ' HA ' ' O ' ' B' ' -1' ' ' ASP . 14.7 t70 -84.73 -14.59 47.85 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 124.053 0.941 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.23 -51.5 69.69 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.173 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -102.25 -33.26 9.68 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.349 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . 0.46 ' O ' ' HA ' ' B' ' -4' ' ' ASP . 33.3 t70 -124.55 138.4 54.33 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.453 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -121.0 27.33 8.53 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-O 121.306 0.574 . . . . 0.0 110.617 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 120.03 99.78 1.79 Allowed Glycine 0 N--CA 1.423 -2.167 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.151 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 80.2 mt -72.86 128.38 35.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.58 128.5 53.64 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.259 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 75.4 m -142.55 -166.65 2.32 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.484 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 20.4 p -147.74 151.64 36.42 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.52 115.95 23.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.484 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 71.8 mmtt -107.19 172.76 6.65 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -104.28 120.37 41.03 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.123 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -109.03 95.05 5.38 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -124.08 8.69 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -101.7 21.4 14.52 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 117.181 0.491 . . . . 0.0 111.599 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.5 m -139.31 138.39 20.56 Favored Pre-proline 0 N--CA 1.415 -2.195 0 O-C-N 121.48 -0.763 . . . . 0.0 110.751 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.69 132.79 29.75 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 123.179 2.586 . . . . 0.0 111.567 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.1 140.05 47.44 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -110.0 129.96 64.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -76.17 127.88 33.82 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.409 0.443 . . . . 0.0 111.443 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.3 mm -94.98 127.94 41.02 Favored Pre-proline 0 C--N 1.307 -1.282 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 175.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.75 128.03 22.16 Favored 'Trans proline' 0 C--O 1.251 1.15 0 C-N-CA 121.953 1.768 . . . . 0.0 111.408 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.68 -30.43 43.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.918 0.887 . . . . 0.0 111.794 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.8 m -58.39 -39.57 80.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.769 0.827 . . . . 0.0 110.652 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.24 -33.41 38.01 Favored 'General case' 0 CA--C 1.473 -1.983 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.0 mmm -50.62 -52.62 37.75 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.272 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -67.9 -33.81 75.42 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.531 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.63 66.97 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.325 0.583 . . . . 0.0 111.339 -173.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 40' ' ' GLY . 85.5 mt -93.69 -6.04 47.17 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.596 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 62.58 28.16 16.54 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.369 1.067 . . . . 0.0 111.804 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -97.23 177.62 5.51 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.045 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . 0.502 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 0.1 OUTLIER -142.9 -173.55 3.93 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.407 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.3 mm -79.43 139.64 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 175.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 76.57 14.93 2.18 Favored 'General case' 0 CA--C 1.478 -1.811 0 C-N-CA 125.445 1.498 . . . . 0.0 111.283 -173.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.502 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 3.6 t70 -76.39 116.48 17.12 Favored 'General case' 0 CA--C 1.478 -1.799 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.95 131.91 39.9 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.83 154.8 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.383 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.406 ' HG3' HG23 ' B' ' 47' ' ' VAL . 22.4 mtpp -90.26 109.08 20.18 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.926 177.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.451 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.3 mp -91.26 100.28 10.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.91 122.55 41.17 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -101.06 126.83 47.77 Favored 'General case' 0 N--CA 1.384 -3.727 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.6 105.83 2.43 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.464 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.554 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 65.99 21.39 11.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.94 0.896 . . . . 0.0 111.806 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . 0.421 ' O ' HD22 ' A' ' 25' ' ' LEU . . . 94.61 -8.49 71.37 Favored Glycine 0 C--N 1.299 -1.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.527 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -92.07 140.8 29.28 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.16 145.34 28.92 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.318 0.58 . . . . 0.0 110.498 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.5 mm -124.14 136.33 60.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.3 mm -112.15 107.78 23.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 CA-C-O 121.894 0.854 . . . . 0.0 110.166 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -130.92 133.63 25.01 Favored Pre-proline 0 C--N 1.294 -1.84 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.7 169.32 9.34 Favored 'Trans proline' 0 N--CA 1.401 -3.931 0 C-N-CA 121.099 1.2 . . . . 0.0 109.676 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.406 HG23 ' HG3' ' B' ' 34' ' ' LYS . 43.2 t -95.34 94.05 4.13 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.909 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -89.69 132.8 34.98 Favored 'General case' 0 C--N 1.272 -2.8 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 142.75 44.14 Favored 'General case' 1 N--CA 1.367 -4.624 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--N 1.261 -3.254 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.228 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.509 -0.631 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -84.32 106.12 15.69 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -99.8 154.83 18.02 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 -177.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 18.8 m -112.46 126.94 69.91 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.715 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -78.67 -26.57 45.04 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -121.59 102.13 8.04 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 114.36 -1.291 . . . . 0.0 107.762 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -85.16 -70.05 0.61 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 56.57 -92.56 0.03 OUTLIER 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.297 0.998 . . . . 0.0 109.458 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . 0.424 ' HD1' ' CD2' ' A' ' -7' ' ' HIS . 27.2 t-80 65.18 -60.07 0.25 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.561 1.544 . . . . 0.0 112.783 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . 0.424 ' CD2' ' HD1' ' A' ' -8' ' ' HIS . 58.0 m-70 -95.41 154.14 17.35 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 97.2 mmm -77.09 81.26 3.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.544 0.688 . . . . 0.0 109.79 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 8.9 m -114.29 -9.46 12.82 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.084 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -73.48 -35.75 65.72 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 122.31 1.052 . . . . 0.0 109.656 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.31 1.0 50.28 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.378 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.07 -22.67 61.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.511 0.672 . . . . 0.0 110.606 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.68 85.89 1.64 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -131.41 -9.08 3.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.969 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -91.78 -155.04 31.41 Favored Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.041 -1.076 . . . . 0.0 112.084 -173.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 38.6 mm -78.81 118.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -88.13 83.68 6.97 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -174.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -109.1 -167.88 1.27 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.506 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -152.46 148.42 27.4 Favored 'General case' 0 N--CA 1.407 -2.612 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.78 125.39 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.23 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -120.38 164.68 15.99 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -95.21 116.18 28.41 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.197 0.522 . . . . 0.0 111.436 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -105.05 95.04 5.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.46 -120.7 7.75 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.02 30.74 6.09 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.6 t -136.08 124.1 15.06 Favored Pre-proline 0 N--CA 1.423 -1.824 0 O-C-N 121.372 -0.83 . . . . 0.0 110.218 -174.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.608 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 18.3 Cg_endo -66.72 122.02 9.34 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.063 1.842 . . . . 0.0 109.899 172.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -122.08 141.65 51.17 Favored 'General case' 0 N--CA 1.422 -1.841 0 CA-C-O 121.117 0.484 . . . . 0.0 111.406 -175.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.11 127.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -79.0 125.17 29.03 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.602 0.564 . . . . 0.0 111.315 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 48.9 mm -98.3 135.58 21.22 Favored Pre-proline 0 C--N 1.305 -1.364 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.1 133.93 22.28 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.383 1.389 . . . . 0.0 109.618 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.02 67.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.477 0.655 . . . . 0.0 110.96 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -58.77 -41.03 85.62 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 123.681 0.792 . . . . 0.0 109.586 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 4.0 mm? -78.34 -33.35 49.16 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.192 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.597 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 82.0 mtp -51.83 -49.13 63.43 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 123.943 0.777 . . . . 0.0 109.688 173.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.8 -35.18 79.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.869 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -34.31 72.22 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.889 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 63.5 mt -94.14 -5.77 46.43 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.134 -178.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 66.49 18.59 10.84 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 126.097 1.759 . . . . 0.0 113.029 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.92 166.91 11.94 Favored 'General case' 0 N--CA 1.428 -1.536 0 O-C-N 122.312 -0.242 . . . . 0.0 110.957 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -131.79 -178.38 4.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.935 0.397 . . . . 0.0 111.012 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -76.85 140.46 17.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 172.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t70 71.21 23.34 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.775 1.23 . . . . 0.0 108.964 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -99.36 140.11 34.02 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.36 134.41 35.57 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.191 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.37 150.92 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 33.7 mtmt -96.19 129.13 43.57 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.43 ' CG2' HD22 ' A' ' 42' ' ' LEU . 2.9 mp -99.71 98.24 6.8 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.628 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 165.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.85 130.9 44.73 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD13 ' C ' ' A' ' 37' ' ' LEU . 3.1 tm? -89.62 130.57 35.9 Favored 'General case' 0 N--CA 1.403 -2.803 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.7 t -147.93 130.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.69 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 59.26 21.67 9.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 124.231 1.012 . . . . 0.0 113.353 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.03 21.33 79.94 Favored Glycine 0 C--N 1.301 -1.41 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.59 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 14.1 pttt -127.27 156.63 41.61 Favored 'General case' 0 C--O 1.249 1.042 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 176.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.43 HD22 ' CG2' ' A' ' 35' ' ' ILE . 45.0 mt -93.14 133.0 36.77 Favored 'General case' 0 CA--C 1.476 -1.874 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.937 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.6 mm -112.41 136.06 49.84 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.275 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.637 -178.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.1 mm -107.49 107.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 36.8 tt0 -130.26 124.98 21.6 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.1 Cg_endo -82.62 170.71 12.68 Favored 'Trans proline' 0 N--CA 1.421 -2.786 0 C-N-CA 122.055 1.837 . . . . 0.0 111.373 -173.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.7 t -106.63 104.36 16.91 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.482 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -71.98 138.71 48.2 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 123.936 0.773 . . . . 0.0 111.351 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -84.84 95.5 9.02 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-O 122.064 0.935 . . . . 0.0 110.174 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 C--N 1.294 -1.822 0 CA-C-N 112.635 -2.075 . . . . 0.0 107.339 -179.223 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 CA--C 1.506 -0.732 0 N-CA-C 111.159 0.059 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -89.44 109.19 20.14 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 119.456 -0.897 . . . . 0.0 109.152 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -102.97 149.84 24.14 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.418 0.628 . . . . 0.0 111.512 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 22.1 m -109.44 120.12 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.493 175.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -71.05 -30.6 66.81 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -115.16 105.94 13.5 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -86.38 -66.91 0.85 Allowed 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 50.08 -94.39 0.03 OUTLIER 'General case' 0 C--O 1.241 0.657 0 O-C-N 124.721 1.263 . . . . 0.0 110.363 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 64.99 -55.73 0.3 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.835 1.654 . . . . 0.0 113.172 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -99.53 160.38 14.33 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 95.2 mmm -80.96 89.36 5.9 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 15.9 m -122.64 -13.85 7.87 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.224 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -69.64 -36.03 75.74 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.299 1.047 . . . . 0.0 109.906 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -86.21 0.01 54.71 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.605 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -74.87 -19.53 60.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.558 0.694 . . . . 0.0 110.321 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.94 83.68 3.48 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -129.48 -6.51 4.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.312 -170.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -91.84 -151.75 27.57 Favored Glycine 0 N--CA 1.436 -1.343 0 C-N-CA 119.578 -1.296 . . . . 0.0 112.574 -173.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 34.8 mm -81.83 119.71 31.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -89.79 83.46 6.21 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -174.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.4 m -106.89 -167.63 1.3 Allowed 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.602 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 147.35 24.58 Favored 'General case' 0 N--CA 1.406 -2.671 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.29 120.51 33.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -116.06 161.35 19.02 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.2 ttm180 -93.48 115.85 28.38 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -103.64 95.01 5.76 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.02 -120.08 7.08 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -105.56 20.59 18.64 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.727 0.775 . . . . 0.0 110.13 173.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -125.75 125.91 24.92 Favored Pre-proline 0 N--CA 1.419 -2.0 0 O-C-N 120.836 -1.165 . . . . 0.0 109.729 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.597 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 17.9 Cg_endo -68.05 124.85 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.148 1.899 . . . . 0.0 109.507 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -124.63 139.96 53.39 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.126 0.488 . . . . 0.0 111.765 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.23 128.67 63.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.2 121.49 26.68 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 123.734 0.646 . . . . 0.0 111.777 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.528 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.0 mm -94.82 134.69 24.6 Favored Pre-proline 0 C--N 1.303 -1.423 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.12 136.4 29.34 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 121.357 1.371 . . . . 0.0 110.037 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.196 0.522 . . . . 0.0 110.56 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -57.7 -43.97 85.52 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.945 0.878 . . . . 0.0 109.31 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.429 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 4.0 mm? -76.94 -32.75 57.56 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.608 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 83.1 mtp -52.62 -49.11 65.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 123.83 0.706 . . . . 0.0 109.702 173.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -67.68 -33.04 74.12 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.668 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.85 66.25 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.428 0.633 . . . . 0.0 110.731 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' B' ' 21' ' ' LEU . 73.1 mt -95.35 -2.24 49.56 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.74 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 64.02 21.71 12.69 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.767 1.227 . . . . 0.0 112.819 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 pp -98.42 173.17 7.09 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 122.084 -0.385 . . . . 0.0 110.356 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -139.91 179.72 6.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.807 0.336 . . . . 0.0 110.965 -174.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -74.57 138.8 20.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 74.04 18.53 3.19 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.043 1.337 . . . . 0.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -93.9 141.93 27.96 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.95 131.67 35.35 Favored 'General case' 0 C--N 1.281 -2.404 0 C-N-CA 123.903 0.881 . . . . 0.0 109.438 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.17 150.18 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.073 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.428 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 36.3 mtmt -96.08 131.4 42.54 Favored 'General case' 0 N--CA 1.428 -1.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.823 175.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.404 ' CG2' HD22 ' B' ' 42' ' ' LEU . 3.1 mp -99.42 98.74 7.41 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.531 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 165.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -97.92 136.3 38.41 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.412 ' C ' HD13 ' B' ' 37' ' ' LEU . 3.1 tm? -94.24 130.48 40.48 Favored 'General case' 0 N--CA 1.4 -2.948 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -176.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.611 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 51.4 t -147.8 127.67 4.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.417 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 61.68 22.12 12.7 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.215 1.006 . . . . 0.0 111.58 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.83 18.65 79.64 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.831 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.611 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 21.3 pttt -124.43 157.8 34.3 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.404 HD22 ' CG2' ' B' ' 35' ' ' ILE . 87.7 mt -91.76 131.96 36.75 Favored 'General case' 0 CA--C 1.477 -1.836 0 CA-C-O 121.692 0.758 . . . . 0.0 110.366 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 32.8 mm -112.78 136.57 48.65 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.239 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.089 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.0 mm -108.16 105.48 18.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 CA-C-O 121.762 0.792 . . . . 0.0 109.528 -177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 34.9 tt0 -128.28 124.91 23.16 Favored Pre-proline 0 N--CA 1.416 -2.134 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.6 Cg_endo -83.14 170.79 11.93 Favored 'Trans proline' 0 N--CA 1.415 -3.14 0 C-N-CA 121.866 1.711 . . . . 0.0 111.136 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 t -104.98 106.44 20.5 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.627 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -72.17 142.05 49.08 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 123.716 0.635 . . . . 0.0 110.731 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -89.12 95.51 10.34 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-O 121.852 0.834 . . . . 0.0 110.145 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--N 1.304 -1.396 0 C-N-CA 126.821 2.048 . . . . 0.0 106.886 178.779 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.494 -1.193 0 CA-C-O 120.872 0.367 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -94.16 154.76 17.41 Favored 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -113.7 18.58 17.38 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.831 0.824 . . . . 0.0 110.256 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 58.3 t -96.31 130.11 45.43 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.83 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -85.28 92.39 8.42 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 176.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -118.6 -0.01 11.44 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.565 0.697 . . . . 0.0 109.986 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -82.78 121.2 26.6 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -80.49 104.29 10.93 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -88.41 -23.16 23.39 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.339 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -100.73 -170.52 1.86 Allowed 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.84 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 26.6 mmt -94.37 27.59 2.88 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 122.277 -0.265 . . . . 0.0 111.202 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.8 m 59.04 40.38 22.25 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.176 0.989 . . . . 0.0 108.726 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.94 -30.39 67.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.905 -1.498 . . . . 0.0 114.164 -173.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.42 -25.07 29.27 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.285 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.1 -45.89 91.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.006 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -94.41 118.7 32.04 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . 0.442 ' HG2' ' CD ' ' B' ' 34' ' ' LYS . 64.1 mttp -121.01 86.16 2.53 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -56.16 -85.3 0.03 OUTLIER Glycine 0 C--N 1.315 -0.585 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.759 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.35 127.93 71.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -114.62 108.32 16.67 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.879 0.847 . . . . 0.0 111.26 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.458 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 38.5 m -120.1 -161.3 0.87 Allowed 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.918 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -148.39 149.19 31.32 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 118.395 0.543 . . . . 0.0 111.119 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.34 118.96 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.114 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -108.65 171.11 7.61 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -106.96 117.61 34.5 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.583 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -103.86 98.7 8.51 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.98 -120.52 8.7 Favored Glycine 0 N--CA 1.433 -1.523 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -107.6 26.17 10.6 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 117.153 0.476 . . . . 0.0 110.5 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 t -129.13 122.2 21.05 Favored Pre-proline 0 N--CA 1.402 -2.858 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -61.31 125.68 17.49 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 121.812 1.674 . . . . 0.0 108.726 170.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.49 ' HB1' ' HB3' ' B' ' 14' ' ' ALA . . . -128.13 136.93 51.83 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.027 0.441 . . . . 0.0 110.46 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.4 t -106.77 129.96 59.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -79.82 120.01 23.49 Favored 'General case' 0 N--CA 1.437 -1.086 0 O-C-N 123.717 0.636 . . . . 0.0 111.646 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.9 mm -97.98 128.01 35.19 Favored Pre-proline 0 C--N 1.301 -1.542 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.98 134.52 50.19 Favored 'Trans proline' 0 C--O 1.249 1.051 0 C-N-CA 121.416 1.411 . . . . 0.0 110.203 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.93 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.358 0.599 . . . . 0.0 110.222 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 m -59.69 -43.42 94.04 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.855 0.862 . . . . 0.0 110.099 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.3 -34.89 63.64 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 120.934 0.397 . . . . 0.0 111.314 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 86.0 mmm -52.39 -53.61 42.68 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.322 173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.71 -36.22 80.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.515 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.7 -28.23 61.63 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.037 -175.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 mt -104.05 5.02 35.0 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.148 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 68.65 23.16 7.24 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.348 1.059 . . . . 0.0 113.655 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.67 154.18 20.8 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-O 121.408 0.623 . . . . 0.0 110.455 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -123.85 -173.65 2.8 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.3 mm -75.68 139.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.249 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 81.55 18.21 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.792 2.037 . . . . 0.0 111.212 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.52 131.95 34.28 Favored 'General case' 0 C--O 1.252 1.216 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.415 ' O ' HG21 ' A' ' 47' ' ' VAL . 37.1 tt0 -69.74 136.53 51.06 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 124.135 0.897 . . . . 0.0 110.729 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 2.8 m -133.06 150.01 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 121.474 0.654 . . . . 0.0 110.785 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' CD ' ' HG2' ' B' ' 0' ' ' LYS . 7.2 mtmp? -95.47 125.15 39.88 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.614 175.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -102.54 104.64 16.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 172.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 40.3 m-20 -112.99 133.09 55.11 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD13 ' N ' ' A' ' 38' ' ' VAL . 1.5 tm? -89.16 127.55 35.74 Favored 'General case' 0 N--CA 1.385 -3.703 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -178.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 ' N ' HD13 ' A' ' 37' ' ' LEU . 58.1 t -143.4 118.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.074 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.38 22.35 10.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.61 10.94 56.28 Favored Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.255 -0.974 . . . . 0.0 113.21 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.65 160.41 31.7 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -96.76 113.93 25.53 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.391 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 35' ' ' ILE . 1.5 mp -95.4 116.09 36.07 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.087 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.62 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.19 105.02 17.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.812 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.218 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 44.4 tt0 -119.67 118.36 32.09 Favored Pre-proline 0 C--N 1.307 -1.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.78 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 5.6 Cg_endo -56.29 148.64 59.82 Favored 'Trans proline' 0 N--CA 1.436 -1.875 0 C-N-CA 124.139 3.226 . . . . 0.0 110.652 173.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 32' ' ' GLU . 20.3 t -103.43 112.67 37.79 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.934 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.286 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -81.28 140.84 34.6 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.436 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -97.68 100.17 11.55 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.084 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.284 -2.242 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 174.538 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 CA--C 1.494 -1.198 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -106.11 161.15 14.76 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -119.7 15.91 12.74 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.821 0.819 . . . . 0.0 110.08 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 61.5 t -93.33 126.81 45.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.445 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -83.44 85.47 7.24 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 121.346 0.594 . . . . 0.0 109.584 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -107.25 -14.15 14.96 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.129 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -72.36 119.16 16.18 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.255 0.55 . . . . 0.0 110.725 -173.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -79.38 98.96 6.95 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 122.29 1.043 . . . . 0.0 112.19 -177.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -89.01 -13.25 39.24 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.237 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -109.73 -177.29 3.23 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 24.8 mmt -91.51 33.99 0.98 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 117.851 0.296 . . . . 0.0 111.532 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 38.5 m 54.89 41.74 31.66 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -60.37 -27.81 67.71 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.707 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.02 -27.55 35.76 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.426 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.23 -43.6 95.91 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.027 0.441 . . . . 0.0 111.459 -176.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -98.71 120.27 38.85 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.569 0.699 . . . . 0.0 110.544 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . 0.429 ' HG2' ' CD ' ' A' ' 34' ' ' LYS . 64.3 mttp -124.41 85.33 2.4 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -56.54 -67.05 2.42 Favored Glycine 0 C--N 1.307 -1.07 0 CA-C-N 114.931 -1.032 . . . . 0.0 112.549 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 86.1 mt -133.24 129.05 56.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.404 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 10.0 p80 -116.47 107.09 14.33 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.101 0.953 . . . . 0.0 111.81 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 53.0 m -115.92 -159.48 0.72 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.243 -1.344 . . . . 0.0 108.824 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.442 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 10.5 p -148.86 148.81 30.32 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -78.01 118.85 25.74 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.223 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.9 mmtt -107.37 172.88 6.58 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -107.77 118.79 37.67 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.437 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -105.86 96.93 6.83 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.56 -122.55 9.49 Favored Glycine 0 N--CA 1.434 -1.463 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -100.71 15.75 27.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 117.343 0.572 . . . . 0.0 111.104 174.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -124.14 126.25 25.61 Favored Pre-proline 0 N--CA 1.404 -2.736 0 O-C-N 121.705 -0.622 . . . . 0.0 109.786 -172.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -62.1 129.73 28.2 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.046 1.83 . . . . 0.0 108.786 170.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.49 ' HB3' ' HB1' ' A' ' 14' ' ' ALA . . . -130.71 138.08 49.83 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -177.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.17 130.84 57.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -78.84 123.24 27.03 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.727 0.642 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 42.1 mm -102.44 128.22 28.72 Favored Pre-proline 0 C--N 1.301 -1.531 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -62.73 134.27 46.32 Favored 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 121.275 1.316 . . . . 0.0 110.257 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.71 68.13 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.958 0.503 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.2 m -60.91 -40.48 93.33 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.402 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.95 -35.17 59.78 Favored 'General case' 0 CA--C 1.48 -1.748 0 CA-C-O 120.847 0.356 . . . . 0.0 110.943 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -52.17 -53.05 47.84 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.387 173.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.1 -33.67 76.29 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.396 177.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.6 66.21 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.386 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 mt -102.78 9.21 39.17 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.558 -176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 65.78 19.35 11.35 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.38 154.02 19.47 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.493 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.14 -178.66 4.03 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -68.38 142.19 16.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.51 23.93 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 126.111 1.764 . . . . 0.0 110.743 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -92.05 131.58 37.22 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 4' ' ' SER . 38.6 tt0 -70.68 134.91 47.94 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 124.234 0.958 . . . . 0.0 110.16 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.56 147.99 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.904 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.442 ' CD ' ' HG2' ' A' ' 0' ' ' LYS . 6.9 mtmp? -92.8 129.52 38.69 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.7 mp -106.46 104.08 16.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.498 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 39.3 m-20 -113.43 128.71 56.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.458 HD13 ' N ' ' B' ' 38' ' ' VAL . 1.6 tm? -85.95 126.28 33.99 Favored 'General case' 0 N--CA 1.392 -3.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.458 ' N ' HD13 ' B' ' 37' ' ' LEU . 57.0 t -142.4 119.97 7.39 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.173 -177.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.71 32.0 18.52 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 12.99 64.9 Favored Glycine 0 C--N 1.307 -1.038 0 C-N-CA 120.84 -0.695 . . . . 0.0 114.171 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.8 159.81 37.43 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.72 113.43 25.07 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.301 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' B' ' 35' ' ' ILE . 1.5 mp -94.74 116.17 35.4 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.177 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.855 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.97 105.53 18.87 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.175 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 48.8 tt0 -121.92 119.05 29.06 Favored Pre-proline 0 C--N 1.305 -1.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.582 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.1 Cg_endo -55.83 150.72 44.12 Favored 'Trans proline' 0 N--CA 1.436 -1.865 0 C-N-CA 124.118 3.212 . . . . 0.0 110.669 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.45 117.24 49.7 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.665 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -86.21 135.51 33.54 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.431 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -91.56 100.57 13.29 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.341 -177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--N 1.265 -3.081 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 CA--C 1.506 -0.745 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -134.91 114.06 12.15 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -84.86 95.86 9.14 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 35.2 m -60.63 130.87 25.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 114.68 -1.146 . . . . 0.0 112.294 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -83.92 87.52 7.11 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -130.64 97.06 4.26 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 35.7 m170 63.1 21.26 12.77 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.357 1.063 . . . . 0.0 110.37 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -76.31 99.43 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -143.18 119.05 10.57 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.359 0.599 . . . . 0.0 111.016 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -106.83 144.03 34.07 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 63.2 mtt -83.33 67.82 9.42 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.356 1.074 . . . . 0.0 111.884 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 20.4 m -73.19 -11.31 60.48 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 114.495 -1.229 . . . . 0.0 110.568 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -61.64 -30.41 70.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.493 0.717 . . . . 0.0 112.031 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -82.57 -39.05 22.81 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.616 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.64 -13.25 59.2 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.145 0.498 . . . . 0.0 111.318 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.23 82.92 0.74 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.448 1.118 . . . . 0.0 109.826 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -123.44 -1.72 8.56 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 113.341 -1.754 . . . . 0.0 108.577 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' B' ' 35' ' ' ILE . . . -82.66 87.73 1.46 Allowed Glycine 0 CA--C 1.477 -2.295 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.37 123.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 CA-C-N 114.713 -0.744 . . . . 0.0 110.043 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -77.2 124.4 27.78 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 122.097 0.951 . . . . 0.0 111.319 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m -144.48 -168.05 2.8 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.246 175.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -150.96 154.53 37.28 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.69 107.87 10.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -105.85 166.21 10.64 Favored 'General case' 0 N--CA 1.412 -2.332 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -98.68 110.82 23.36 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 120.889 0.376 . . . . 0.0 111.336 -177.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -97.43 93.74 6.64 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.94 -118.28 4.93 Favored Glycine 0 N--CA 1.428 -1.879 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -111.11 26.97 10.13 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 116.944 0.372 . . . . 0.0 110.692 174.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -141.46 130.9 12.64 Favored Pre-proline 0 N--CA 1.43 -1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 110.194 -176.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.714 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 17.5 Cg_endo -62.2 131.26 33.65 Favored 'Trans proline' 0 C--O 1.24 0.587 0 C-N-CA 123.074 2.516 . . . . 0.0 112.122 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.36 41.46 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.909 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.98 137.52 43.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -78.67 130.08 35.44 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.834 0.708 . . . . 0.0 111.779 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.606 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -106.85 128.63 25.75 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 174.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.5 142.96 73.88 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.716 1.611 . . . . 0.0 110.815 176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -63.25 -28.03 69.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.097 0.475 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 m -59.38 -38.5 80.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.399 0.619 . . . . 0.0 110.438 175.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.96 -32.78 59.68 Favored 'General case' 0 CA--C 1.477 -1.854 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.021 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.704 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 84.7 mtp -54.98 -46.84 75.14 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.781 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 47.3 mt-30 -71.43 -25.74 62.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.342 -178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.67 -26.31 59.77 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.37 0.605 . . . . 0.0 110.473 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -110.45 4.45 20.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 58.29 23.7 10.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.702 1.201 . . . . 0.0 112.763 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -99.4 155.82 17.34 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-O 120.884 0.373 . . . . 0.0 110.432 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -124.4 -172.92 2.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.089 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.6 mm -76.43 142.73 13.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 77.9 13.03 1.76 Allowed 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.57 1.148 . . . . 0.0 112.58 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -83.76 125.65 32.12 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 143.7 43.47 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 123.657 0.598 . . . . 0.0 110.286 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.437 ' HA ' HG21 ' A' ' 47' ' ' VAL . 3.9 m -136.18 152.9 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.294 0 CA-C-O 121.41 0.624 . . . . 0.0 111.356 -175.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -103.26 119.34 38.68 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 113.91 -1.495 . . . . 0.0 109.97 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.45 97.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.84 128.78 45.14 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.5 124.67 35.18 Favored 'General case' 0 N--CA 1.385 -3.712 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 54.6 t -142.19 119.62 7.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.852 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.292 -174.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 65.51 22.69 11.83 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.402 1.096 . . . . 0.0 110.022 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.34 31.2 63.77 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.053 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HG3' ' OE2' ' B' ' 45' ' ' GLU . 22.5 ttmm -128.88 145.01 51.33 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -89.04 115.44 26.59 Favored 'General case' 0 CA--C 1.485 -1.539 0 CA-C-O 121.745 0.783 . . . . 0.0 110.532 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.47 109.24 25.94 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.549 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.209 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -101.89 106.86 20.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.788 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.727 178.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' OE2' ' HG3' ' B' ' 41' ' ' LYS . 26.1 mm-40 -111.98 141.96 25.86 Favored Pre-proline 0 C--N 1.287 -2.134 0 CA-C-N 113.857 -1.519 . . . . 0.0 107.813 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -85.35 169.13 9.89 Favored 'Trans proline' 0 N--CA 1.407 -3.563 0 N-CA-C 107.208 -1.882 . . . . 0.0 107.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG21 ' HA ' ' A' ' 33' ' ' VAL . 18.0 t -107.84 105.56 19.02 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.621 0 C-N-CA 117.445 -1.702 . . . . 0.0 109.091 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -73.46 140.32 46.41 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 175.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -82.28 106.75 14.42 Favored 'General case' 0 N--CA 1.399 -2.983 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -168.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.291 -1.974 0 CA-C-N 112.025 -2.352 . . . . 0.0 109.564 -175.321 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 CA--C 1.497 -1.083 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -137.11 109.39 7.31 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -81.73 96.67 7.63 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.8 136.99 22.84 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.721 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -91.68 90.5 7.58 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -135.57 95.81 3.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 36.5 m80 63.88 24.57 13.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.84 0.856 . . . . 0.0 110.194 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -83.52 99.66 10.27 Favored 'General case' 0 N--CA 1.432 -1.351 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -144.29 121.88 11.79 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.415 -177.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -107.14 145.47 32.48 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 64.0 mtt -84.55 72.16 10.68 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 122.235 1.017 . . . . 0.0 110.716 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 16.6 m -80.59 -12.53 59.5 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-N 114.029 -1.442 . . . . 0.0 110.226 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -60.71 -28.04 68.35 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.318 0.58 . . . . 0.0 111.343 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -80.41 -41.23 24.95 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.598 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.78 -7.5 59.61 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.883 0.849 . . . . 0.0 110.631 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -74.99 83.78 2.25 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.311 1.053 . . . . 0.0 109.131 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -127.09 0.16 6.5 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 113.206 -1.815 . . . . 0.0 108.463 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -86.55 83.32 1.6 Allowed Glycine 0 CA--C 1.481 -2.068 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -177.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.53 122.89 5.42 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 C-N-CA 124.081 0.952 . . . . 0.0 110.679 -176.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -78.19 120.61 23.23 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.173 0.987 . . . . 0.0 112.019 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.6 m -140.13 -165.57 1.93 Allowed 'General case' 0 C--N 1.268 -2.978 0 CA-C-N 114.277 -1.329 . . . . 0.0 107.598 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -152.12 154.46 35.93 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.62 109.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -106.12 167.43 9.81 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.4 ttm180 -102.45 106.81 17.61 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 -176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -91.77 94.24 9.25 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.64 -120.07 5.94 Favored Glycine 0 N--CA 1.425 -2.042 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 -175.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -109.23 24.55 12.94 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.063 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -136.03 129.57 18.12 Favored Pre-proline 0 N--CA 1.427 -1.614 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.704 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 12.1 Cg_endo -62.85 131.25 32.26 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 122.848 2.366 . . . . 0.0 111.691 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.47 144.99 40.31 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.134 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.14 135.77 50.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -76.93 132.31 38.99 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 123.721 0.638 . . . . 0.0 111.595 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.574 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.3 mp -106.66 130.24 23.21 Favored Pre-proline 0 C--N 1.297 -1.698 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.32 139.06 53.28 Favored 'Trans proline' 0 C--O 1.249 1.066 0 C-N-CA 121.912 1.741 . . . . 0.0 110.866 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.04 66.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.256 0.551 . . . . 0.0 111.177 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -61.9 -38.4 88.25 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.98 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.65 -32.25 60.12 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.355 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.714 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.9 mtp -54.67 -47.99 72.91 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.093 173.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -70.58 -25.05 62.89 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.44 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.97 64.39 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.35 2.87 26.93 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.486 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 58.54 25.35 13.0 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.849 1.26 . . . . 0.0 113.219 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 pp -101.84 156.51 17.47 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -126.62 -169.91 2.11 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.29 144.77 11.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 75.18 14.31 3.08 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 124.737 1.215 . . . . 0.0 111.86 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -87.13 128.83 35.11 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.8 143.8 39.56 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 123.578 0.549 . . . . 0.0 110.916 -176.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.44 ' HA ' HG21 ' B' ' 47' ' ' VAL . 3.6 m -137.39 151.36 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.797 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -101.72 119.37 38.68 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.971 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.415 ' O ' ' HA2' ' A' ' 1' ' ' GLY . 3.7 mp -98.32 95.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.35 125.42 41.95 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.386 -3.639 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -140.27 121.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.213 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.043 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 64.27 21.67 12.59 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.11 0.957 . . . . 0.0 110.901 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.85 23.94 70.91 Favored Glycine 0 C--O 1.213 -1.209 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.438 ' HG3' ' OE2' ' A' ' 45' ' ' GLU . 22.3 ttmm -124.11 144.58 49.81 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 73.5 mt -86.66 114.18 23.14 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 121.577 0.703 . . . . 0.0 110.791 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -102.35 109.71 27.13 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.604 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.468 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -102.66 106.05 19.27 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.774 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.242 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.474 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 27.3 mm-40 -111.25 142.95 27.43 Favored Pre-proline 0 C--N 1.289 -2.062 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.52 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.1 169.99 9.85 Favored 'Trans proline' 0 N--CA 1.408 -3.543 0 N-CA-C 107.252 -1.865 . . . . 0.0 107.252 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.44 HG21 ' HA ' ' B' ' 33' ' ' VAL . 21.3 t -108.62 106.6 20.99 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.495 0 C-N-CA 117.308 -1.757 . . . . 0.0 109.11 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.11 140.51 47.18 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.437 ' N ' ' HD2' ' B' ' 49' ' ' LYS . 0.9 OUTLIER -84.4 103.34 13.48 Favored 'General case' 0 N--CA 1.407 -2.615 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -169.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.293 -1.871 0 O-C-N 126.256 2.223 . . . . 0.0 109.2 -174.08 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 C--O 1.237 0.412 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -103.1 174.14 6.0 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -108.44 164.31 12.45 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 59.0 t -82.34 104.09 10.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -69.81 125.82 27.86 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 39.6 m80 74.17 114.54 0.06 Allowed 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.712 1.258 . . . . 0.0 110.015 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -66.23 -67.03 0.48 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.878 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -116.14 -0.03 12.81 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.984 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -83.66 76.26 9.99 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.852 0.834 . . . . 0.0 109.37 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -118.09 112.34 20.08 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.943 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 90.6 mtp -67.29 102.17 1.04 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.985 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 22.8 t 175.54 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -71.59 -17.07 62.31 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.466 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.64 -64.44 0.83 Allowed 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 124.944 1.298 . . . . 0.0 112.025 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 0' ' ' LYS . 35.7 t70 -115.96 -30.23 6.11 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.887 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.67 86.88 5.84 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' -2' ' ' ASP . 22.3 pttm -137.82 10.27 2.87 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.361 -166.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -170.95 81.57 0.09 OUTLIER Glycine 0 CA--C 1.477 -2.313 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 56.6 mt -89.36 122.89 41.24 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -95.62 95.89 8.66 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.913 0.863 . . . . 0.0 111.487 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -111.34 -164.19 0.9 Allowed 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.451 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.519 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 24.6 p -151.96 156.57 40.31 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.0 t -83.58 116.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -109.62 173.96 6.09 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -106.04 116.29 31.69 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -103.24 97.27 7.37 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.48 -117.27 4.93 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 -176.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -114.9 29.41 8.05 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.967 -0.137 . . . . 0.0 111.133 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -137.49 134.47 18.54 Favored Pre-proline 0 N--CA 1.421 -1.905 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 Cg_endo -67.32 129.98 21.53 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.637 2.225 . . . . 0.0 111.228 175.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 140.02 39.33 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -106.15 136.41 40.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -79.57 121.82 25.73 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 123.711 0.632 . . . . 0.0 110.141 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.6 mp -99.85 129.41 28.67 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -66.76 136.65 42.78 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.216 1.944 . . . . 0.0 111.886 178.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.0 -29.97 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.605 0.762 . . . . 0.0 111.228 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -57.54 -35.93 70.95 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 124.154 0.982 . . . . 0.0 111.082 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.49 -32.55 22.17 Favored 'General case' 0 CA--C 1.478 -1.803 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.425 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 83.6 mmm -53.68 -51.94 61.6 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.306 174.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 81.5 mt-30 -67.0 -34.46 77.8 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.991 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.08 79.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.381 0.61 . . . . 0.0 111.777 -174.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.45 4.85 24.74 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.936 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 50.78 63.02 2.4 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 126.256 1.823 . . . . 0.0 113.164 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 156.03 32.26 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -126.62 -178.77 4.49 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -71.7 142.75 15.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 79.89 10.97 1.25 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.333 1.853 . . . . 0.0 110.837 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.48 128.91 35.55 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.07 146.08 51.2 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 124.048 0.843 . . . . 0.0 111.583 -175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.5 m -136.46 151.35 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.36 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -95.08 112.44 24.15 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.044 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -92.13 100.18 10.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.23 136.9 42.98 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.78 140.48 32.1 Favored 'General case' 1 N--CA 1.373 -4.313 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -148.78 116.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 53.18 38.39 27.42 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.134 0.974 . . . . 0.0 112.597 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.5 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.036 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -124.5 148.93 47.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -92.38 105.25 17.48 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.093 0.949 . . . . 0.0 108.556 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.0 mm -100.29 105.86 18.32 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.18 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.269 -176.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.77 108.69 21.78 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 42.8 tt0 -116.42 114.36 40.48 Favored Pre-proline 0 C--N 1.295 -1.8 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.172 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 12.2 Cg_endo -62.11 146.05 96.23 Favored 'Trans proline' 0 N--CA 1.423 -2.623 0 C-N-CA 123.436 2.757 . . . . 0.0 110.326 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.6 t -90.76 106.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.358 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -57.08 136.05 56.35 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.597 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -102.31 95.92 6.62 Favored 'General case' 0 N--CA 1.406 -2.664 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 173.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.283 -2.299 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.395 -171.505 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -97.17 173.42 7.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.985 0.421 . . . . 0.0 110.193 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -106.57 165.16 11.49 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.68 110.62 19.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -78.06 125.58 29.55 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 41.8 m80 74.44 105.95 0.07 Allowed 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.837 1.336 . . . . 0.0 110.154 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -56.14 -69.74 0.14 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -113.6 -1.82 13.97 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.817 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -82.91 71.64 10.0 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 122.331 1.063 . . . . 0.0 109.185 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -113.75 112.44 23.43 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.848 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 88.4 mtp -69.83 100.7 1.58 Allowed 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.768 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 23.2 t -179.94 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -176.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.49 -14.48 61.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.541 1.537 . . . . 0.0 112.055 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.64 -64.05 1.07 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.801 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -116.37 -28.87 6.36 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.582 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -82.92 91.26 7.09 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -141.02 -1.77 1.36 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.385 -165.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -159.08 79.18 0.17 Allowed Glycine 0 CA--C 1.489 -1.58 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 35.8 mt -87.02 121.81 38.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -94.32 97.39 10.19 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.72 0.771 . . . . 0.0 111.278 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -112.3 -162.54 0.8 Allowed 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.533 -1.212 . . . . 0.0 107.84 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.571 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 11.9 p -153.57 155.64 36.51 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.41 119.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.571 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.4 mmtt -113.46 170.73 8.02 Favored 'General case' 0 C--N 1.278 -2.539 0 C-N-CA 120.031 -0.668 . . . . 0.0 109.326 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -102.47 116.89 33.54 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.059 0.457 . . . . 0.0 111.406 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -106.67 98.58 8.23 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.1 -121.95 7.29 Favored Glycine 0 N--CA 1.428 -1.867 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -111.23 30.63 6.74 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 117.292 0.546 . . . . 0.0 111.413 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -133.87 132.73 21.64 Favored Pre-proline 0 N--CA 1.412 -2.372 0 O-C-N 121.854 -0.529 . . . . 0.0 109.88 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.477 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.5 Cg_endo -66.78 129.25 20.54 Favored 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.447 2.098 . . . . 0.0 110.876 173.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.15 140.2 41.69 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -106.51 136.79 39.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -80.8 120.87 25.23 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.502 0.502 . . . . 0.0 110.431 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.5 mp -98.74 128.91 31.21 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -65.87 137.13 47.98 Favored 'Trans proline' 0 C--O 1.25 1.094 0 C-N-CA 121.985 1.79 . . . . 0.0 111.655 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.448 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.83 -29.68 68.42 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.446 0.698 . . . . 0.0 110.907 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.4 m -58.65 -34.19 70.92 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.122 0.969 . . . . 0.0 110.909 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.61 -32.02 20.84 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 121.157 0.503 . . . . 0.0 110.397 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -54.03 -51.06 65.19 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.272 173.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 80.3 mt-30 -67.64 -32.83 73.79 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.044 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.28 80.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.44 0.638 . . . . 0.0 111.97 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.86 4.8 23.89 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.241 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 50.52 60.97 3.47 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 125.647 1.579 . . . . 0.0 113.049 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.19 154.59 33.11 Favored 'General case' 0 N--CA 1.396 -3.138 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -129.2 -175.6 3.61 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.01 138.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 77.5 19.18 1.25 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.971 1.708 . . . . 0.0 110.854 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -90.11 128.56 36.35 Favored 'General case' 0 C--O 1.25 1.104 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.89 146.77 45.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 123.616 0.572 . . . . 0.0 110.778 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.24 150.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.45 113.35 25.6 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.1 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.74 102.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 171.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.32 138.12 44.11 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.94 139.59 33.55 Favored 'General case' 0 N--CA 1.38 -3.968 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -146.34 112.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.273 -2.761 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 53.9 40.95 32.13 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.045 0.938 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.65 36.76 83.7 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.321 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -128.47 148.62 50.74 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -91.53 103.97 16.52 Favored 'General case' 0 CA--C 1.488 -1.431 0 CA-C-O 121.924 0.868 . . . . 0.0 109.24 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.5 mm -99.91 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.823 0 CA-C-N 114.338 -1.301 . . . . 0.0 108.447 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.77 108.2 20.74 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.6 tt0 -116.19 113.43 41.39 Favored Pre-proline 0 C--N 1.297 -1.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.719 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 12.1 Cg_endo -61.73 149.37 90.26 Favored 'Trans proline' 0 N--CA 1.428 -2.363 0 C-N-CA 123.459 2.772 . . . . 0.0 110.071 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.33 108.1 19.77 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.247 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -59.63 134.09 56.7 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.418 -1.265 . . . . 0.0 113.038 -172.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -96.77 96.59 8.68 Favored 'General case' 0 N--CA 1.409 -2.485 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 173.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.292 -1.915 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -172.204 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -73.05 115.58 12.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.499 0.666 . . . . 0.0 112.099 -176.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -92.2 105.85 17.98 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 167.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . 0.414 HG23 ' HA ' ' A' ' -7' ' ' HIS . 19.4 m -49.68 132.44 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -98.09 28.18 4.15 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.285 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -113.52 137.28 51.78 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -91.54 145.29 24.73 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.092 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 42.6 m80 74.32 -39.8 0.43 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.097 1.359 . . . . 0.0 111.224 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -83.99 84.86 7.44 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . 0.414 ' HA ' HG23 ' A' ' -13' ' ' VAL . 60.5 m-70 -117.22 125.84 51.79 Favored 'General case' 0 CA--C 1.485 -1.539 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.011 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -145.16 20.44 1.58 Allowed 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 14.8 m -123.85 -27.78 3.9 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.463 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -85.7 -21.55 28.25 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.605 0.717 . . . . 0.0 110.053 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.95 -45.8 78.73 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 126.149 1.78 . . . . 0.0 114.568 -172.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.47 -5.56 59.28 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -92.21 94.6 9.27 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 173.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -80.2 -42.8 22.64 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.307 -175.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 3' ' ' HIS . . . 57.08 71.45 0.74 Allowed Glycine 0 N--CA 1.441 -0.972 0 O-C-N 123.955 0.784 . . . . 0.0 112.519 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.7 mt -76.36 108.04 8.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 1' ' ' GLY . 16.8 m-70 -84.48 120.9 26.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 -177.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.493 ' OG ' HG23 ' B' ' 33' ' ' VAL . 84.5 p -109.96 -153.93 0.53 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.377 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -157.48 133.86 9.72 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.5 t -88.29 119.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.16 167.58 10.7 Favored 'General case' 0 C--N 1.275 -2.645 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -102.24 121.6 42.56 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.372 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -113.52 101.98 9.86 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.49 -120.64 6.56 Favored Glycine 0 N--CA 1.414 -2.804 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -103.06 17.33 24.31 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.641 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 p -137.31 137.11 21.6 Favored Pre-proline 0 N--CA 1.411 -2.423 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.79 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.02 121.3 9.59 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 122.81 2.34 . . . . 0.0 109.882 170.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.7 134.17 48.39 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-O 121.29 0.567 . . . . 0.0 109.612 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.37 139.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -84.0 104.43 14.07 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -88.05 133.04 38.03 Favored Pre-proline 0 C--N 1.308 -1.232 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 126.72 19.99 Favored 'Trans proline' 0 C--O 1.251 1.135 0 C-N-CA 121.941 1.761 . . . . 0.0 110.731 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -60.74 -25.19 66.29 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.272 0.629 . . . . 0.0 110.405 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -55.87 -36.33 67.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.458 1.103 . . . . 0.0 110.789 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.96 -34.49 29.74 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mmm -55.57 -48.29 75.02 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.054 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 96.8 mt-30 -63.56 -37.2 86.41 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.06 175.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.23 -35.11 75.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.489 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 mt -99.04 1.25 45.15 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.403 0.621 . . . . 0.0 111.311 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 67.01 27.36 8.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 173.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.09 160.51 14.26 Favored 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.03 179.45 5.03 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.085 -0.385 . . . . 0.0 110.194 -178.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.1 mm -72.78 142.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 79.77 14.59 0.93 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 125.299 1.44 . . . . 0.0 112.101 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' B' ' 5' ' ' SER . 12.5 t0 -91.97 173.21 7.96 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 175.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' B' ' 4' ' ' SER . 30.3 tt0 -118.78 135.41 54.53 Favored 'General case' 0 C--N 1.271 -2.834 0 C-N-CA 124.017 0.927 . . . . 0.0 109.6 -173.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.519 HG23 ' OG ' ' B' ' 4' ' ' SER . 1.5 m -129.22 157.86 41.95 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 C-N-CA 119.548 -0.861 . . . . 0.0 111.273 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -99.64 123.0 43.48 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.506 175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.35 112.32 31.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -124.83 126.36 45.47 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -87.99 131.93 34.44 Favored 'General case' 0 N--CA 1.383 -3.808 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.02 108.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.052 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 63.42 26.82 15.05 Favored 'General case' 0 N--CA 1.507 2.388 0 CA-C-O 122.768 1.27 . . . . 0.0 110.876 174.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.48 7.28 82.51 Favored Glycine 0 C--N 1.303 -1.303 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.41 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -102.59 141.72 34.94 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.4 mt -91.5 104.61 17.09 Favored 'General case' 0 CA--C 1.48 -1.713 0 CA-C-O 122.047 0.927 . . . . 0.0 109.168 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -97.9 107.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.856 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.29 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.58 124.95 54.46 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.104 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.819 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -130.05 148.49 69.88 Favored Pre-proline 0 C--N 1.293 -1.854 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.72 165.98 6.14 Favored 'Trans proline' 1 N--CA 1.4 -4.022 0 N-CA-C 109.167 -1.128 . . . . 0.0 109.167 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' A' ' 33' ' ' VAL . 11.2 t -107.84 103.85 16.14 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.578 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 177.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -80.36 124.45 28.88 Favored 'General case' 0 C--N 1.28 -2.415 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.921 -173.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.76 96.65 9.8 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.267 -2.979 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -175.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 . . . . . 0 C--O 1.238 0.488 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -68.37 109.09 3.49 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -87.66 105.56 17.44 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 168.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 23.0 m -50.61 133.91 10.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -175.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -99.39 30.89 3.33 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 113.99 -1.459 . . . . 0.0 108.448 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -116.03 136.36 53.1 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.103 -1.408 . . . . 0.0 107.238 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -92.46 146.12 23.93 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.902 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 39.2 m80 77.0 -48.99 0.54 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.428 1.491 . . . . 0.0 110.472 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -78.14 85.45 4.33 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -116.25 123.93 48.94 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.726 179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -138.86 15.91 2.67 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 176.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 20.2 m -119.62 -29.79 4.98 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.5 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -85.81 -21.05 28.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.475 0.655 . . . . 0.0 110.486 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.66 -47.24 80.23 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 126.29 1.836 . . . . 0.0 114.126 -170.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -82.8 -16.73 46.7 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.12 90.06 4.85 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -73.68 -44.05 57.71 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 -175.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 60.01 74.33 0.38 Allowed Glycine 0 N--CA 1.441 -0.978 0 O-C-N 123.826 0.704 . . . . 0.0 112.61 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.03 108.85 13.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -85.47 121.71 28.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.401 0.619 . . . . 0.0 110.775 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.519 ' OG ' HG23 ' A' ' 33' ' ' VAL . 62.3 p -111.19 -154.8 0.55 Allowed 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.304 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 50.9 m -156.01 134.59 11.69 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 173.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.54 116.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.57 166.62 11.34 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -102.51 124.51 48.19 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.999 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 16.3 t90 -114.79 101.1 8.74 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.79 -121.09 8.43 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 108.633 -1.787 . . . . 0.0 108.633 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -102.39 20.7 16.45 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 56.6 p -140.03 136.22 17.0 Favored Pre-proline 0 N--CA 1.414 -2.226 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.694 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -59.37 123.23 12.95 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.832 2.355 . . . . 0.0 109.783 171.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.81 133.09 46.74 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.686 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.88 138.67 27.44 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.105 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -84.08 106.08 15.44 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -87.8 134.36 35.68 Favored Pre-proline 0 C--N 1.304 -1.395 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.41 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.52 124.03 13.89 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.143 1.895 . . . . 0.0 111.033 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.46 -25.69 64.6 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.654 0.782 . . . . 0.0 110.827 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -56.06 -36.09 67.67 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.47 0.708 . . . . 0.0 110.943 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.21 -34.77 32.02 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.132 0.492 . . . . 0.0 110.972 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.4 mmm -55.13 -48.91 73.0 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.206 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 96.7 mt-30 -61.93 -39.63 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.163 -1.381 . . . . 0.0 110.55 175.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.07 83.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.829 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.3 mt -94.54 -3.41 49.85 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.411 0.624 . . . . 0.0 111.552 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 63.46 54.72 1.9 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 125.03 1.332 . . . . 0.0 113.881 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 158.02 34.73 Favored 'General case' 0 N--CA 1.403 -2.817 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -125.28 -179.25 4.51 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.19 143.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 78.74 15.87 1.12 Allowed 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.398 1.479 . . . . 0.0 111.944 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -94.75 167.07 11.67 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 4' ' ' SER . 38.0 tt0 -110.04 137.17 48.18 Favored 'General case' 0 C--N 1.268 -2.976 0 C-N-CA 123.461 0.704 . . . . 0.0 110.129 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.493 HG23 ' OG ' ' A' ' 4' ' ' SER . 1.7 m -130.51 155.63 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.014 -0.675 . . . . 0.0 110.584 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.432 ' HZ2' ' HB2' ' B' ' 34' ' ' LYS . 9.7 mtmp? -97.1 130.64 44.35 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -104.71 111.31 33.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.98 132.5 56.63 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.005 0.431 . . . . 0.0 110.72 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.82 125.88 39.78 Favored 'General case' 1 N--CA 1.378 -4.04 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 49.9 t -142.05 107.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.179 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 64.68 31.06 12.27 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 122.642 1.211 . . . . 0.0 110.372 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.46 11.1 85.23 Favored Glycine 0 C--N 1.31 -0.9 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.476 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -106.12 142.18 36.24 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -91.5 105.18 17.56 Favored 'General case' 0 CA--C 1.483 -1.633 0 CA-C-O 121.844 0.83 . . . . 0.0 109.58 175.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 36.7 mm -98.8 106.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.353 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.8 124.19 54.26 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.169 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.867 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -128.98 148.05 67.34 Favored Pre-proline 0 C--N 1.294 -1.844 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -87.05 168.59 7.78 Favored 'Trans proline' 1 N--CA 1.4 -4.005 0 N-CA-C 108.8 -1.269 . . . . 0.0 108.8 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.449 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.7 t -108.96 107.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.446 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -82.17 126.04 31.6 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.179 -174.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.28 96.15 10.45 Favored 'General case' 0 N--CA 1.417 -2.115 0 N-CA-C 105.658 -1.979 . . . . 0.0 105.658 176.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.283 -2.284 0 CA-C-N 114.304 -1.316 . . . . 0.0 107.851 -174.253 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 39.0 t30 . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 120.296 0.093 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 60.05 91.95 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.68 1.192 . . . . 0.0 111.473 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -129.18 90.62 3.05 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 36.0 m -99.36 -4.04 9.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . 0.483 ' HA ' ' HB2' ' A' ' -9' ' ' HIS . 41.1 m80 62.96 -174.71 0.15 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 73.74 -53.5 0.69 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.03 1.332 . . . . 0.0 111.337 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -113.87 26.56 10.24 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . 0.483 ' HB2' ' HA ' ' A' ' -12' ' ' HIS . 57.2 t-80 -80.44 98.19 7.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.855 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -117.39 -46.9 2.67 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.746 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . 0.536 ' NE2' ' HA ' ' A' ' -5' ' ' SER . 86.6 t60 -134.34 120.06 19.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.061 -175.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 66.9 mtm -81.37 -9.95 59.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.746 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' SER . . . . . 0.536 ' HA ' ' NE2' ' A' ' -7' ' ' HIS . 8.6 t 67.19 67.61 0.4 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -173.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.02 -17.55 26.23 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 113.319 -1.764 . . . . 0.0 113.458 -169.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -105.99 -17.82 14.22 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.644 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -116.63 -3.86 11.75 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.15 137.06 57.77 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.281 0.562 . . . . 0.0 110.527 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -86.12 5.43 33.85 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 140.79 119.12 1.55 Allowed Glycine 0 N--CA 1.429 -1.803 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.896 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.58 109.73 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -86.09 134.65 33.81 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.874 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.4 m -149.54 -164.99 2.16 Favored 'General case' 0 C--N 1.286 -2.188 0 C-N-CA 124.385 1.074 . . . . 0.0 108.236 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.454 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 15.8 p -150.19 160.65 43.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 118.236 0.471 . . . . 0.0 110.201 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.9 t -89.49 123.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 74.9 mmtt -110.99 175.84 5.26 Favored 'General case' 0 C--N 1.271 -2.824 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -107.22 119.64 39.94 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.998 -0.439 . . . . 0.0 109.905 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -114.18 97.96 6.66 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -129.39 17.17 Favored Glycine 0 N--CA 1.425 -2.064 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -96.92 18.16 15.25 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.068 0.461 . . . . 0.0 109.988 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 p -129.08 130.42 23.41 Favored Pre-proline 0 N--CA 1.416 -2.154 0 O-C-N 120.841 -1.162 . . . . 0.0 111.414 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.84 124.69 14.99 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.616 2.211 . . . . 0.0 109.707 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.97 138.06 41.91 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.205 0.526 . . . . 0.0 110.537 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.61 139.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -83.84 104.94 14.35 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 123.44 0.462 . . . . 0.0 109.893 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 mp -87.0 130.55 47.84 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.59 132.56 46.47 Favored 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.341 2.027 . . . . 0.0 111.545 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.488 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 m -56.22 -40.85 74.72 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.294 0.637 . . . . 0.0 110.13 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.16 -36.03 61.56 Favored 'General case' 0 CA--C 1.483 -1.632 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mmm -53.46 -46.55 69.96 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.776 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -71.77 -28.92 63.96 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.608 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -28.34 57.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.055 0.455 . . . . 0.0 111.579 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.463 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.7 mt -100.46 -10.37 21.18 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.643 0.735 . . . . 0.0 109.969 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.5 67.49 0.77 Allowed 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.761 1.624 . . . . 0.0 113.294 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.4 pt? -134.42 164.16 28.05 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 114.193 -1.367 . . . . 0.0 107.727 172.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -130.11 -177.13 4.17 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.1 mm -66.34 140.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-O 121.291 0.567 . . . . 0.0 110.581 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t0 73.67 20.02 3.12 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 126.821 2.048 . . . . 0.0 111.299 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -90.14 146.87 23.96 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.68 136.2 33.46 Favored 'General case' 0 C--N 1.267 -3.006 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.355 -172.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.463 ' HA ' HG21 ' A' ' 47' ' ' VAL . 4.0 m -130.28 157.96 42.74 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.105 -178.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -102.31 133.97 46.35 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.208 174.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.35 100.31 10.16 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 169.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -100.83 135.16 42.71 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' N ' ' A' ' 38' ' ' VAL . 2.5 tm? -99.36 129.52 45.57 Favored 'General case' 0 N--CA 1.388 -3.551 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' N ' HD12 ' A' ' 37' ' ' LEU . 86.1 t -144.15 119.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.49 -178.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 58.11 21.12 7.61 Favored 'General case' 0 N--CA 1.508 2.473 0 C-N-CA 124.977 1.311 . . . . 0.0 113.013 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.38 11.75 66.18 Favored Glycine 0 C--N 1.295 -1.738 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.213 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.88 154.35 34.48 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 117.988 0.894 . . . . 0.0 109.212 172.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.5 mt -89.02 115.7 26.77 Favored 'General case' 0 CA--C 1.482 -1.663 0 CA-C-O 121.744 0.783 . . . . 0.0 109.516 -178.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.7 mm -103.25 102.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.218 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.096 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.9 mt -100.85 104.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.978 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.822 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -111.93 136.17 21.23 Favored Pre-proline 0 C--N 1.278 -2.526 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -79.35 168.12 20.46 Favored 'Trans proline' 0 N--CA 1.413 -3.219 0 C-N-CA 120.774 0.983 . . . . 0.0 109.624 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 HG21 ' HA ' ' A' ' 33' ' ' VAL . 21.4 t -101.86 115.67 44.08 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.154 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -78.04 149.7 33.95 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.368 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -110.23 104.72 13.58 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--O 1.248 0.996 0 O-C-N 125.291 1.619 . . . . 0.0 107.621 -174.538 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 45.0 t30 . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 110.708 -0.108 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 63.11 90.02 0.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.706 1.202 . . . . 0.0 112.213 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . 0.588 ' HE2' ' NE2' ' B' ' -12' ' ' HIS . 86.0 tttt -127.81 93.63 3.74 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 29.9 m -97.46 -16.84 6.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.101 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . 0.588 ' NE2' ' HE2' ' B' ' -14' ' ' LYS . 40.3 m80 70.26 -179.34 0.23 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.594 0.757 . . . . 0.0 111.607 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 76.99 -46.27 0.5 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.059 1.343 . . . . 0.0 110.835 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.16 28.14 8.42 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . 0.455 ' HB2' ' HA ' ' B' ' -12' ' ' HIS . 58.3 t-80 -84.86 93.36 8.49 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.362 -0.836 . . . . 0.0 108.968 -178.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -110.38 -40.31 4.69 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.227 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . 0.576 ' NE2' ' HA ' ' B' ' -5' ' ' SER . 86.4 t60 -141.47 129.22 21.65 Favored 'General case' 0 N--CA 1.424 -1.76 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 69.7 mtm -87.62 -9.61 53.77 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -5' ' ' SER . . . . . 0.576 ' HA ' ' NE2' ' B' ' -7' ' ' HIS . 8.9 t 66.06 64.68 0.53 Allowed 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -172.738 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.07 -29.8 32.39 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.74 1.616 . . . . 0.0 113.105 -170.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.92 -24.29 22.5 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.505 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -108.62 -12.98 14.9 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -172.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.23 130.17 45.01 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.398 0.618 . . . . 0.0 111.628 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -82.2 13.29 3.57 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -174.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 133.67 117.21 1.77 Allowed Glycine 0 N--CA 1.425 -2.057 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.14 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.02 107.71 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -85.02 134.37 34.22 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.304 0.573 . . . . 0.0 110.707 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 39.7 m -145.66 -165.46 2.2 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 124.34 1.056 . . . . 0.0 108.808 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.538 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 15.3 p -149.39 153.79 37.91 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-O 120.722 0.296 . . . . 0.0 110.553 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 43.4 t -85.58 122.52 38.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.538 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 75.7 mmtt -110.66 176.38 5.06 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -109.13 119.73 40.4 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.785 -0.572 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -113.37 96.89 6.14 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.94 -129.29 11.66 Favored Glycine 0 N--CA 1.42 -2.383 0 N-CA-C 107.919 -2.072 . . . . 0.0 107.919 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -95.85 11.14 34.77 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-O 120.989 0.423 . . . . 0.0 110.73 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 59.0 p -120.84 130.1 25.01 Favored Pre-proline 0 N--CA 1.418 -2.067 0 O-C-N 120.683 -1.261 . . . . 0.0 111.747 -175.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -60.97 125.7 17.76 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.632 2.222 . . . . 0.0 109.887 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.64 139.42 40.27 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.16 0.505 . . . . 0.0 110.403 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.87 138.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -83.14 105.67 14.31 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.25 131.02 45.62 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -60.53 130.97 35.73 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 122.277 1.985 . . . . 0.0 111.696 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.85 68.02 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.432 0.693 . . . . 0.0 110.932 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -57.8 -39.07 76.67 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.304 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.46 -35.26 53.99 Favored 'General case' 0 CA--C 1.484 -1.562 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 82.4 mmm -54.17 -46.56 72.35 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.82 -35.3 78.38 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.533 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.27 69.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.479 0.656 . . . . 0.0 111.965 -175.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 77.4 mt -93.37 -13.31 28.22 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.952 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 t30 66.05 66.57 0.49 Allowed 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.756 1.623 . . . . 0.0 112.368 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.4 pt? -134.11 165.2 25.62 Favored 'General case' 0 N--CA 1.404 -2.726 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.533 172.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -126.92 -178.71 4.5 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 123.558 0.743 . . . . 0.0 109.262 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.96 142.86 15.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.4 t70 78.56 7.72 2.25 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.583 1.953 . . . . 0.0 111.669 177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -82.77 139.73 33.42 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -79.85 134.82 36.34 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.011 -173.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.419 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.8 m -131.2 154.63 40.94 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' B' ' 34' ' ' LYS . 41.1 mtmt -101.04 137.05 39.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 120.871 0.367 . . . . 0.0 110.47 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -104.83 99.55 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.071 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 170.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -100.31 139.7 35.6 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 38' ' ' VAL . 2.1 tm? -102.75 130.16 49.62 Favored 'General case' 0 N--CA 1.383 -3.796 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.449 ' N ' HD12 ' B' ' 37' ' ' LEU . 87.3 t -145.54 119.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.943 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 57.71 21.08 6.97 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 125.424 1.49 . . . . 0.0 113.831 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.71 14.59 65.04 Favored Glycine 0 C--N 1.286 -2.231 0 C-N-CA 119.324 -1.417 . . . . 0.0 113.085 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.79 35.4 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 117.674 0.737 . . . . 0.0 109.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 72.4 mt -88.96 115.93 26.87 Favored 'General case' 0 CA--C 1.478 -1.804 0 CA-C-O 121.834 0.826 . . . . 0.0 110.137 -177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 24.9 mm -103.34 101.73 12.63 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.24 0 CA-C-N 114.275 -1.33 . . . . 0.0 107.836 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 59.2 mt -100.07 104.64 16.4 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.888 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.823 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -112.72 136.04 21.58 Favored Pre-proline 0 C--N 1.279 -2.462 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -79.18 168.73 20.01 Favored 'Trans proline' 0 N--CA 1.418 -2.961 0 C-N-CA 121.003 1.135 . . . . 0.0 109.496 -176.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.419 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.2 t -103.5 114.6 43.56 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.201 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.649 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -75.01 150.32 39.0 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.503 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -110.91 103.17 11.64 Favored 'General case' 0 C--N 1.268 -2.939 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--N 1.312 -1.041 0 O-C-N 124.847 1.342 . . . . 0.0 108.366 -174.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 CA--C 1.501 -0.908 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -76.77 103.39 6.71 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -94.74 -45.56 7.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.924 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 47.7 t -72.17 -46.32 58.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -99.88 125.58 45.87 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -87.05 42.13 1.01 Allowed 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -144.64 131.65 20.4 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.636 -175.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -84.53 117.91 24.0 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -70.83 134.86 47.7 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.676 -178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -94.94 145.16 25.11 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.231 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 85.0 mtp -126.02 108.42 11.37 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 39.8 m -146.13 18.04 1.39 Allowed 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.343 1.068 . . . . 0.0 108.937 176.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -85.86 -24.77 26.57 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.852 -176.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.08 -22.15 62.15 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -172.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -71.94 -59.86 2.53 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -176.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -83.02 98.9 9.51 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.155 0.503 . . . . 0.0 110.074 -176.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -123.49 0.97 8.91 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.399 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -108.29 100.91 1.51 Allowed Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.2 mt -97.51 133.1 40.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -176.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -102.38 137.45 40.61 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.8 m -153.77 -165.6 2.17 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -144.4 154.88 43.44 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.95 122.17 32.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -113.78 167.69 10.42 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HE ' HG13 ' B' ' 29' ' ' ILE . 16.4 ttm180 -103.6 116.56 32.58 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -173.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -105.31 97.7 7.51 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.14 -130.09 11.12 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -98.3 17.67 18.19 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 117.289 0.544 . . . . 0.0 111.117 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -128.04 134.84 26.67 Favored Pre-proline 0 N--CA 1.413 -2.308 0 O-C-N 121.459 -0.776 . . . . 0.0 110.702 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.2 Cg_endo -68.21 134.63 32.0 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.111 2.541 . . . . 0.0 112.471 176.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.0 143.5 40.64 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 88.0 t -102.68 131.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -84.92 131.05 34.55 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.443 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 mp -112.13 134.8 21.37 Favored Pre-proline 0 C--N 1.301 -1.509 0 C-N-CA 122.997 0.519 . . . . 0.0 109.92 179.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -68.15 137.98 42.16 Favored 'Trans proline' 0 C--O 1.25 1.112 0 C-N-CA 121.845 1.697 . . . . 0.0 111.35 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.17 -26.2 64.58 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 121.192 0.52 . . . . 0.0 111.035 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -59.44 -39.96 85.26 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 123.54 0.736 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.16 -34.77 56.35 Favored 'General case' 0 CA--C 1.48 -1.724 0 CA-C-O 121.143 0.497 . . . . 0.0 110.744 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.445 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 83.2 mmm -55.86 -47.65 76.94 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.684 174.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.3 mt-30 -65.94 -34.13 77.41 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.86 174.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.05 71.65 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.589 0.709 . . . . 0.0 111.365 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.51 -7.24 44.86 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.023 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.48 66.27 0.88 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.821 1.248 . . . . 0.0 112.987 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -135.18 164.51 27.53 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.022 171.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.94 -169.87 2.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.4 mm -71.41 138.55 21.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.295 3.8 m-20 83.27 8.01 0.68 Allowed 'General case' 0 CA--C 1.489 -1.374 0 C-N-CA 126.084 1.754 . . . . 0.0 114.533 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.26 125.05 28.7 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' B' ' 4' ' ' SER . 35.7 tt0 -67.21 137.06 55.92 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.443 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.62 152.77 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-O 121.245 0.545 . . . . 0.0 110.762 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -95.94 113.03 24.61 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.795 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.95 97.4 6.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.674 -1.972 . . . . 0.0 105.674 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.5 130.87 55.48 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 38' ' ' VAL . 1.9 tm? -85.91 125.4 33.31 Favored 'General case' 0 N--CA 1.394 -3.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' N ' HD12 ' A' ' 37' ' ' LEU . 99.6 t -144.87 121.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.971 -176.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 59.72 32.88 21.67 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.511 1.148 . . . . 0.0 111.231 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.38 2.42 87.52 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.043 -0.981 . . . . 0.0 114.147 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.23 164.2 21.5 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 118.216 1.008 . . . . 0.0 111.122 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.46 124.54 37.52 Favored 'General case' 0 CA--C 1.482 -1.664 0 CA-C-O 121.656 0.741 . . . . 0.0 109.29 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.1 mm -103.49 123.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.251 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.977 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -104.03 105.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -116.25 147.24 39.03 Favored Pre-proline 0 C--N 1.293 -1.865 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -89.82 164.05 5.05 Favored 'Trans proline' 0 N--CA 1.401 -3.954 0 C-N-CA 120.991 1.127 . . . . 0.0 110.199 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t -113.7 110.21 31.31 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.608 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -73.99 134.49 43.09 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -85.96 97.0 10.01 Favored 'General case' 0 CA--C 1.483 -1.602 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.105 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.274 -2.711 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 179.168 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 50.0 t30 . . . . . 0 CA--C 1.506 -0.717 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -77.54 100.84 6.24 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -92.6 -44.86 8.37 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.226 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 40.4 t -74.65 -43.68 47.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -101.61 121.18 41.53 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.97 -1.013 . . . . 0.0 108.629 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -86.8 58.19 4.92 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -158.67 137.32 11.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -93.04 118.63 31.4 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -71.89 134.0 45.77 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.553 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -98.35 138.52 35.47 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.658 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 90.1 mtp -119.36 108.37 14.51 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 19.1 m -143.6 12.51 1.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.766 0.793 . . . . 0.0 109.003 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -85.72 -15.43 42.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.388 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.14 -21.3 54.35 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.177 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.29 -58.14 3.81 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.412 -174.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -87.47 108.47 19.03 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -132.29 4.14 4.01 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.003 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -109.3 106.65 2.26 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 62.6 mt -103.48 130.08 54.41 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.067 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -97.44 136.75 37.43 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 120.995 0.426 . . . . 0.0 110.255 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 64.3 m -153.35 -165.9 2.28 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -147.61 150.12 33.83 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.1 118.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -110.63 167.91 9.86 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -102.75 116.68 33.06 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -106.17 95.99 6.16 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.29 -125.53 7.03 Favored Glycine 0 N--CA 1.424 -2.166 0 N-CA-C 108.686 -1.766 . . . . 0.0 108.686 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -109.19 28.65 8.29 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-N 117.259 0.529 . . . . 0.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -141.16 141.39 23.47 Favored Pre-proline 0 N--CA 1.409 -2.478 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.445 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 29.4 Cg_endo -72.89 136.07 24.5 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 123.464 2.776 . . . . 0.0 112.925 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.97 43.22 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.041 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 78.3 t -101.04 131.59 48.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -85.66 129.31 34.86 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.896 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -110.09 136.72 20.44 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 122.861 0.464 . . . . 0.0 109.869 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.13 139.48 39.06 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.032 1.822 . . . . 0.0 111.146 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.34 -24.45 67.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.91 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -57.33 -42.87 82.75 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.606 0.763 . . . . 0.0 110.086 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.22 -33.37 59.24 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.398 0.618 . . . . 0.0 110.964 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.424 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 85.1 mmm -56.72 -47.26 80.36 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.704 174.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -65.05 -37.46 87.64 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.261 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.73 81.21 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.421 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 65.3 mt -96.17 -7.44 35.8 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.715 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t30 61.89 65.99 0.86 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.206 1.403 . . . . 0.0 113.252 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -134.56 165.02 26.17 Favored 'General case' 0 N--CA 1.409 -2.508 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.629 172.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.3 -166.3 1.78 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.469 HG13 ' HE ' ' A' ' 8' ' ' ARG . 51.1 mm -74.97 140.44 17.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . 0.286 7.9 m-20 82.76 5.04 0.97 Allowed 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 125.563 1.545 . . . . 0.0 114.218 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.37 122.43 23.75 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -70.44 136.21 49.34 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.683 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.53 151.55 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.53 0 CA-C-O 121.063 0.458 . . . . 0.0 110.771 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -93.03 115.57 28.23 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.452 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.83 97.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.9 132.38 54.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -175.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.421 HD12 ' N ' ' B' ' 38' ' ' VAL . 1.9 tm? -85.7 125.08 32.92 Favored 'General case' 0 N--CA 1.386 -3.648 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 177.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.421 ' N ' HD12 ' B' ' 37' ' ' LEU . 60.9 t -145.9 122.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.271 -176.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 59.9 27.77 17.17 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.603 1.161 . . . . 0.0 111.134 175.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.36 8.4 77.92 Favored Glycine 0 C--N 1.306 -1.104 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.726 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 164.24 23.85 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 117.709 0.754 . . . . 0.0 110.426 175.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -93.52 122.18 35.69 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 121.603 0.715 . . . . 0.0 109.616 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 28.4 mm -101.79 122.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.28 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.225 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.4 105.78 18.71 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -116.98 146.09 37.11 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -87.7 168.52 7.02 Favored 'Trans proline' 0 N--CA 1.402 -3.86 0 C-N-CA 120.968 1.112 . . . . 0.0 109.823 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 t -117.63 115.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.413 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -78.36 133.52 37.56 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.634 0.73 . . . . 0.0 112.955 -172.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -86.84 97.52 10.69 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.693 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--N 1.265 -3.1 0 N-CA-C 107.084 -1.451 . . . . 0.0 107.084 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 38.9 p30 . . . . . 0 CA--C 1.512 -0.504 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -92.76 92.1 7.79 Favored 'General case' 0 N--CA 1.433 -1.32 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -120.48 -45.09 2.44 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.27 -39.17 17.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -97.11 25.28 5.57 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.015 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -69.13 -43.04 75.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.725 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 61.67 22.58 13.06 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.371 0.668 . . . . 0.0 111.269 172.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 39.2 m80 59.92 22.2 11.22 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.819 0.848 . . . . 0.0 112.007 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -81.05 -33.94 33.13 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.754 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 62.27 -171.87 0.16 Allowed 'General case' 0 C--O 1.245 0.853 0 C-N-CA 123.331 0.652 . . . . 0.0 110.806 -176.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 25.6 ttt -122.4 -7.22 8.71 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 49.4 m 73.47 -38.13 0.4 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.619 1.568 . . . . 0.0 111.426 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.36 -23.67 67.37 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.273 1.035 . . . . 0.0 109.735 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -81.66 -16.22 52.06 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.515 -1.221 . . . . 0.0 109.744 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -92.67 -33.85 14.2 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.701 -176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -94.99 0.04 54.27 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.399 -0.521 . . . . 0.0 111.285 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -132.82 83.8 2.09 Favored 'General case' 0 C--O 1.252 1.211 0 CA-C-O 121.045 0.45 . . . . 0.0 110.365 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -86.49 -102.6 0.78 Allowed Glycine 0 N--CA 1.427 -1.949 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.159 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.3 mt -118.61 139.72 44.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -94.55 143.2 26.62 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 m -152.65 -170.18 3.56 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 123.066 0.547 . . . . 0.0 109.78 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.537 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 16.8 p -152.61 154.93 36.35 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-O 120.826 0.346 . . . . 0.0 111.243 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.26 121.7 40.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 72.4 mmtt -116.57 165.79 12.84 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -100.03 117.64 34.74 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.213 0.53 . . . . 0.0 111.719 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -104.75 95.15 5.69 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.44 -116.66 6.27 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -175.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -109.6 27.93 9.07 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.87 0.335 . . . . 0.0 110.903 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -133.77 128.12 19.71 Favored Pre-proline 0 N--CA 1.411 -2.393 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.619 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 29.5 Cg_endo -70.21 125.76 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.05 1.833 . . . . 0.0 109.457 172.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.66 142.92 46.99 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.051 -177.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -112.01 140.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.87 121.14 28.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.11 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.51 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -94.85 135.41 23.75 Favored Pre-proline 0 C--N 1.305 -1.357 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -67.61 137.89 43.83 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 121.424 1.416 . . . . 0.0 110.049 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.05 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.158 0.504 . . . . 0.0 111.17 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -56.45 -38.92 72.32 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 123.896 0.878 . . . . 0.0 110.399 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.9 mm? -76.22 -34.78 59.25 Favored 'General case' 0 CA--C 1.474 -1.958 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.167 -178.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.623 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 80.7 mtp -54.01 -48.73 70.15 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.078 174.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.91 -31.98 72.12 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.084 -1.417 . . . . 0.0 110.773 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 -32.42 62.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.19 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 66.5 mt -93.57 -16.3 24.54 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.586 -177.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.68 61.15 0.55 Allowed 'General case' 0 C--O 1.242 0.678 0 C-N-CA 126.201 1.8 . . . . 0.0 110.962 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.82 155.87 49.88 Favored 'General case' 0 N--CA 1.409 -2.501 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.893 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -121.78 -175.42 3.09 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.939 0.4 . . . . 0.0 110.895 -176.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.8 mm -69.81 140.96 17.79 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 72.39 22.09 3.55 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 125.707 1.603 . . . . 0.0 109.734 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -94.39 144.47 25.52 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.03 133.37 33.6 Favored 'General case' 0 C--N 1.278 -2.501 0 C-N-CA 123.919 0.888 . . . . 0.0 109.704 -173.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.447 ' HA ' HG21 ' A' ' 47' ' ' VAL . 4.2 m -126.44 157.66 36.92 Favored 'Isoleucine or valine' 0 C--O 1.247 0.974 0 CA-C-O 120.93 0.395 . . . . 0.0 110.476 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -102.78 122.85 45.33 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.441 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.96 108.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -115.37 142.37 46.79 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD13 ' N ' ' A' ' 38' ' ' VAL . 1.6 tm? -99.97 126.5 46.15 Favored 'General case' 0 N--CA 1.386 -3.632 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' N ' HD13 ' A' ' 37' ' ' LEU . 22.0 t -147.89 132.42 10.03 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.16 22.18 13.25 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.504 1.121 . . . . 0.0 110.599 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.25 68.81 Favored Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.676 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' B' ' 44' ' ' ILE . 15.6 pttt -141.08 163.65 32.38 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 117.489 0.645 . . . . 0.0 110.299 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.428 ' HG ' HD11 ' B' ' 25' ' ' LEU . 55.6 mt -86.61 131.68 34.09 Favored 'General case' 0 CA--C 1.476 -1.868 0 CA-C-O 122.183 0.992 . . . . 0.0 110.396 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -117.39 128.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.631 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.186 -177.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 37.9 mm -113.52 104.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-O 121.506 0.67 . . . . 0.0 109.327 -174.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -118.16 132.31 23.79 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -178.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.71 170.27 20.2 Favored 'Trans proline' 0 N--CA 1.427 -2.426 0 C-N-CA 121.072 1.181 . . . . 0.0 111.022 -175.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.447 HG21 ' HA ' ' A' ' 33' ' ' VAL . 21.8 t -105.14 113.83 43.16 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.684 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.9 mtm105 -71.83 136.6 47.07 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 41.4 mmtm -92.97 93.72 8.51 Favored 'General case' 0 N--CA 1.407 -2.605 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 49' ' ' LYS . 36.1 tt0 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 128.317 2.647 . . . . 0.0 104.021 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 . . . . . 0 CA--C 1.5 -0.969 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -92.81 91.8 7.63 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.843 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -119.06 -46.1 2.54 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 52.7 t -79.03 -44.76 24.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -89.12 22.83 2.64 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.894 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -65.8 -45.05 83.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.397 -179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 59.98 22.86 11.97 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.75 0.82 . . . . 0.0 110.713 173.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 53.9 m80 59.5 21.79 10.29 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.39 1.076 . . . . 0.0 112.131 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -74.86 -39.5 61.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.383 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 55.6 m-70 64.97 -177.44 0.18 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.047 0.842 . . . . 0.0 110.524 -174.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -6' ' ' MET . . . . . 0.439 ' C ' ' H ' ' B' ' -4' ' ' ASP . 26.5 ttt -116.46 -5.61 11.73 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 175.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 51.9 m 71.49 -36.11 0.35 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.509 1.524 . . . . 0.0 111.802 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' B' ' -6' ' ' MET . 23.2 t70 -64.83 -26.13 68.2 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.368 1.08 . . . . 0.0 109.785 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.64 -13.41 59.51 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.293 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.67 -36.05 13.85 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.604 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -94.69 1.17 55.5 Favored 'General case' 0 C--N 1.321 -0.63 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.49 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -133.18 82.27 1.98 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.726 0.298 . . . . 0.0 110.598 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -85.53 -98.32 0.72 Allowed Glycine 0 C--N 1.304 -1.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.851 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.6 mt -120.29 145.61 26.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -105.01 138.46 41.18 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -145.88 -165.7 2.27 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.898 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.435 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.4 p -154.66 153.99 32.23 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.997 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.88 118.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.435 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.4 mmtt -113.41 168.39 9.78 Favored 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -101.61 121.39 41.91 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.301 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -108.9 97.95 7.51 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.49 -116.95 5.99 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -113.08 30.42 7.2 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 120.801 0.334 . . . . 0.0 110.121 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -133.71 129.35 20.32 Favored Pre-proline 0 N--CA 1.408 -2.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.623 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 32.5 Cg_endo -71.32 127.07 12.92 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.161 1.908 . . . . 0.0 109.57 172.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.67 141.26 44.96 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.924 0.392 . . . . 0.0 110.222 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 p -110.25 139.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -85.01 123.27 30.36 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.005 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.526 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mp -97.45 134.23 22.83 Favored Pre-proline 0 C--N 1.31 -1.123 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -67.32 134.75 34.51 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 121.265 1.31 . . . . 0.0 109.971 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -60.32 -28.27 68.0 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.315 0.579 . . . . 0.0 111.195 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.7 m -59.52 -36.25 75.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.206 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . 0.453 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 3.9 mm? -77.49 -35.33 53.75 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.619 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.8 mtp -52.79 -48.29 66.97 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.589 0.709 . . . . 0.0 109.186 173.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 89.3 mt-30 -68.85 -28.69 66.95 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.43 55.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.051 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' B' ' 21' ' ' LEU . 73.7 mt -93.7 -21.03 19.6 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.325 0.583 . . . . 0.0 110.025 -178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 t30 70.82 61.01 0.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 126.013 1.725 . . . . 0.0 110.806 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -135.03 157.2 47.55 Favored 'General case' 0 N--CA 1.401 -2.901 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.37 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -125.12 -175.17 3.23 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.522 0.201 . . . . 0.0 110.749 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -72.06 138.55 21.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 74.21 24.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.699 1.6 . . . . 0.0 109.713 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.04 143.21 29.57 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.32 135.43 35.2 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.198 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.467 ' HA ' HG21 ' B' ' 47' ' ' VAL . 3.5 m -129.62 155.66 41.49 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -101.3 123.66 45.76 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 mm -101.34 107.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -114.57 144.27 43.66 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.46 HD13 ' N ' ' B' ' 38' ' ' VAL . 1.7 tm? -102.7 126.79 49.93 Favored 'General case' 0 N--CA 1.385 -3.702 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 177.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.46 ' N ' HD13 ' B' ' 37' ' ' LEU . 46.8 t -147.93 133.82 11.95 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 61.36 22.12 12.56 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.714 1.205 . . . . 0.0 111.569 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 26.15 65.92 Favored Glycine 0 N--CA 1.437 -1.27 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.614 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 18.2 pttt -141.78 163.19 33.56 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 117.06 0.43 . . . . 0.0 110.179 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.43 ' HG ' HD11 ' A' ' 25' ' ' LEU . 65.9 mt -85.87 129.63 34.78 Favored 'General case' 0 CA--C 1.475 -1.928 0 CA-C-O 121.914 0.864 . . . . 0.0 110.711 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 40.7 mm -115.02 129.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.493 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.464 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 41.6 mm -114.05 104.57 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -118.3 131.25 24.3 Favored Pre-proline 0 C--N 1.286 -2.157 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 -178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.97 169.04 22.94 Favored 'Trans proline' 0 N--CA 1.426 -2.458 0 C-N-CA 121.043 1.162 . . . . 0.0 111.341 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.467 HG21 ' HA ' ' B' ' 33' ' ' VAL . 25.9 t -104.1 113.37 40.83 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.523 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -71.39 138.92 49.55 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' B' ' 50' ' ' GLU . 41.8 mmtm -95.54 94.33 7.7 Favored 'General case' 0 N--CA 1.4 -2.973 0 C-N-CA 118.081 -1.448 . . . . 0.0 107.283 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 49' ' ' LYS . 33.0 tt0 . . . . . 0 C--O 1.247 0.942 0 N-CA-C 103.292 -2.855 . . . . 0.0 103.292 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.499 -1.005 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -82.32 -36.31 27.06 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -112.73 132.87 55.02 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 168.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.61 -41.59 63.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-O 121.318 0.58 . . . . 0.0 110.051 -175.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -96.49 96.96 9.05 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -68.65 -36.54 78.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.334 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -74.36 -6.81 50.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.66 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -105.72 99.65 9.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -76.98 87.35 3.51 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.58 138.2 58.07 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.286 -1.325 . . . . 0.0 112.438 -178.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 25.3 ttt -136.11 133.62 37.48 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.8 m 64.43 29.84 13.29 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.076 0.86 . . . . 0.0 109.982 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.18 -34.57 78.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.826 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.07 -20.48 34.84 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.317 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -89.18 -40.82 12.62 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.661 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.67 122.98 22.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.671 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . 0.533 ' O ' ' HA ' ' B' ' 36' ' ' ASP . 22.4 pttp -100.58 2.62 41.98 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.625 -174.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -110.05 82.91 0.31 Allowed Glycine 0 CA--C 1.498 -1.018 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.9 mt -77.77 118.31 24.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 120.669 0.271 . . . . 0.0 110.625 -174.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -87.41 109.15 19.36 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.197 0.522 . . . . 0.0 111.003 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.463 ' OG ' HG21 ' B' ' 33' ' ' VAL . 91.1 p -107.05 -152.89 0.49 Allowed 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 123.624 0.77 . . . . 0.0 109.482 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m -160.38 131.04 5.48 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.82 110.19 4.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.468 ' HZ2' ' CG ' ' B' ' 30' ' ' ASP . 69.0 mmtt -104.91 167.33 9.78 Favored 'General case' 0 C--N 1.281 -2.413 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -101.15 118.17 36.45 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.304 0.573 . . . . 0.0 110.956 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -105.27 96.1 6.29 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.09 -121.63 7.16 Favored Glycine 0 N--CA 1.435 -1.381 0 N-CA-C 108.24 -1.944 . . . . 0.0 108.24 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -107.87 24.89 12.26 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 117.728 0.764 . . . . 0.0 110.502 173.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -129.05 127.38 23.33 Favored Pre-proline 0 N--CA 1.406 -2.631 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -65.75 132.23 29.99 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.164 1.909 . . . . 0.0 109.499 172.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -132.64 140.81 48.35 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.085 0.469 . . . . 0.0 111.086 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.26 130.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -79.18 129.39 34.41 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 123.425 0.453 . . . . 0.0 111.337 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -102.27 127.83 29.78 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.47 138.58 71.56 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 121.939 1.76 . . . . 0.0 110.772 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.51 -27.43 69.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.144 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 m -59.06 -43.11 91.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.657 0.783 . . . . 0.0 109.925 175.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.24 -36.92 61.25 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.512 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mmm -51.77 -52.66 47.22 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 124.345 1.028 . . . . 0.0 109.479 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -68.84 -31.53 70.57 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.657 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.87 75.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.666 0.745 . . . . 0.0 110.418 -176.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.5 mt -94.58 -4.09 48.48 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.578 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.19 29.96 19.46 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.93 1.292 . . . . 0.0 112.748 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -100.84 155.98 17.62 Favored 'General case' 0 N--CA 1.411 -2.405 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -127.85 -178.2 4.41 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.437 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.63 142.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 79.22 17.49 0.87 Allowed 'General case' 0 CA--C 1.493 -1.247 0 C-N-CA 125.475 1.51 . . . . 0.0 112.292 -177.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.412 ' O ' ' HA ' ' B' ' 5' ' ' SER . 17.3 t70 -85.68 123.45 31.09 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.541 ' HA ' ' O ' ' B' ' 4' ' ' SER . 31.8 tt0 -73.38 131.44 41.87 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.268 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.557 HG21 ' OG ' ' B' ' 4' ' ' SER . 1.2 m -128.85 155.69 40.96 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.755 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -92.83 121.96 34.73 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.171 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.03 95.24 4.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 103.903 -2.628 . . . . 0.0 103.903 166.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -110.72 136.25 50.08 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 123.383 0.427 . . . . 0.0 110.093 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD12 ' C ' ' A' ' 37' ' ' LEU . 3.0 tm? -93.25 131.45 38.35 Favored 'General case' 0 N--CA 1.385 -3.717 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -177.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' N ' HD12 ' A' ' 37' ' ' LEU . 98.6 t -151.44 122.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 66.95 21.86 10.23 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.474 1.13 . . . . 0.0 110.909 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.12 11.3 74.85 Favored Glycine 0 C--N 1.317 -0.52 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.534 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -107.21 146.95 30.75 Favored 'General case' 0 N--CA 1.413 -2.317 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.91 122.36 34.36 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-O 121.894 0.854 . . . . 0.0 109.916 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.9 mm -100.94 122.87 53.51 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.056 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.637 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.67 115.21 48.86 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.491 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -134.58 149.41 70.83 Favored Pre-proline 0 C--N 1.287 -2.124 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -83.4 170.43 11.84 Favored 'Trans proline' 0 N--CA 1.41 -3.423 0 C-N-CA 121.568 1.512 . . . . 0.0 108.371 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.423 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.8 t -111.1 109.25 27.8 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.245 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -72.02 153.91 41.47 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.422 -171.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -95.4 97.39 9.78 Favored 'General case' 0 N--CA 1.412 -2.348 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.338 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 113.302 -1.772 . . . . 0.0 110.325 -177.401 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.24 0.562 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -87.63 -36.43 17.48 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' B' ' -11' ' ' HIS . 23.3 pttm -109.17 136.46 48.62 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 167.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 38.0 t -76.86 -41.04 32.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-O 121.493 0.663 . . . . 0.0 109.255 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -92.43 102.63 15.1 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.016 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . 0.4 ' HA ' ' HE2' ' B' ' -14' ' ' LYS . 33.9 m-70 -77.87 -31.18 51.23 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.498 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -79.52 -4.14 50.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.45 0.643 . . . . 0.0 111.258 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -105.81 106.55 17.11 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -82.18 87.85 6.51 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.705 0.764 . . . . 0.0 109.597 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.86 135.24 57.72 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.135 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 25.6 ttt -134.66 135.83 42.37 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 13.5 m 65.81 26.3 11.23 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.128 0.892 . . . . 0.0 110.166 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.83 -35.62 75.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.418 1.087 . . . . 0.0 112.284 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -90.39 -15.94 30.05 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.355 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.84 -39.99 12.73 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.113 0.482 . . . . 0.0 110.232 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.87 117.63 13.71 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.452 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -93.32 -15.86 25.31 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.309 -174.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -93.65 81.99 1.02 Allowed Glycine 0 CA--C 1.502 -0.759 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -76.18 121.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 C-N-CA 122.989 0.516 . . . . 0.0 111.047 -175.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -87.83 123.96 33.14 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.557 ' OG ' HG21 ' A' ' 33' ' ' VAL . 76.7 p -121.36 -156.2 0.67 Allowed 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.792 0.837 . . . . 0.0 109.497 -177.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.412 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 39.2 m -156.43 133.77 10.7 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.3 110.8 12.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -104.6 169.89 8.2 Favored 'General case' 0 C--N 1.282 -2.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -103.45 114.91 29.56 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 121.153 0.501 . . . . 0.0 111.538 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -102.26 95.45 6.31 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.67 -121.19 8.58 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -104.02 18.67 21.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 117.348 0.574 . . . . 0.0 111.036 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -125.47 125.74 25.07 Favored Pre-proline 0 N--CA 1.416 -2.175 0 O-C-N 121.76 -0.588 . . . . 0.0 109.656 -173.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -63.19 131.15 31.18 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.136 1.891 . . . . 0.0 109.448 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.446 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -132.44 140.3 48.36 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-O 120.974 0.416 . . . . 0.0 111.438 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.13 128.12 65.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.44 125.54 29.49 Favored 'General case' 0 C--N 1.315 -0.891 0 O-C-N 123.559 0.537 . . . . 0.0 111.49 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -98.78 127.76 34.52 Favored Pre-proline 0 C--N 1.305 -1.343 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -61.74 137.7 70.01 Favored 'Trans proline' 0 C--O 1.252 1.196 0 C-N-CA 122.16 1.907 . . . . 0.0 110.878 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -26.47 68.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.176 0.512 . . . . 0.0 110.08 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -58.35 -44.27 88.69 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.827 0.851 . . . . 0.0 109.882 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.62 -36.6 60.2 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.648 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mmm -52.09 -50.48 61.52 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.528 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.63 -30.8 68.6 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.454 -1.248 . . . . 0.0 111.759 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -38.67 74.91 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.836 0.827 . . . . 0.0 110.657 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.2 mt -95.73 -1.06 50.69 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.736 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 61.2 21.93 12.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.139 1.376 . . . . 0.0 113.121 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -96.2 153.73 17.64 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -125.74 178.97 5.39 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.39 -177.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.65 139.46 21.05 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . 0.468 ' CG ' ' HZ2' ' A' ' 7' ' ' LYS . 0.6 OUTLIER 79.61 15.67 0.9 Allowed 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 125.859 1.664 . . . . 0.0 112.808 -176.307 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -83.07 123.08 29.14 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 4' ' ' SER . 31.3 tt0 -71.29 134.03 46.49 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.699 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.463 HG21 ' OG ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -131.62 151.43 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.699 -179.031 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.75 124.77 34.45 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.55 94.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 103.507 -2.775 . . . . 0.0 103.507 165.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.533 ' HA ' ' O ' ' A' ' 0' ' ' LYS . 37.8 t70 -110.91 130.67 55.51 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.981 -174.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -88.73 130.94 35.23 Favored 'General case' 0 N--CA 1.389 -3.48 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -151.57 127.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 64.26 21.17 12.45 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.44 1.114 . . . . 0.0 110.934 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.88 70.82 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.416 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -112.36 148.16 34.85 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.62 122.24 34.01 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-O 121.707 0.765 . . . . 0.0 110.227 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.428 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 47.0 mm -102.33 122.58 54.8 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-N 114.13 -1.395 . . . . 0.0 108.647 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.13 115.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.644 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -135.74 146.58 57.75 Favored Pre-proline 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -85.48 161.34 11.03 Favored 'Trans proline' 0 N--CA 1.408 -3.523 0 C-N-CA 121.672 1.582 . . . . 0.0 109.09 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 15.7 t -103.98 110.68 30.96 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.691 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -76.68 150.19 36.37 Favored 'General case' 0 N--CA 1.419 -1.988 0 CA-C-N 115.135 -0.938 . . . . 0.0 111.68 -170.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -90.56 96.96 10.91 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.248 1.01 0 C-N-CA 126.0 1.72 . . . . 0.0 110.747 -177.736 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -15' ' ' HIS . . . . . 0.574 ' O ' ' HG2' ' A' ' -14' ' ' LYS . 18.9 m-70 -98.08 84.88 3.36 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -14' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' -15' ' ' HIS . 5.6 ptpp? 82.29 164.98 0.14 Allowed 'General case' 0 C--O 1.249 1.065 0 C-N-CA 128.472 2.709 . . . . 0.0 108.101 -168.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.79 104.96 6.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -85.29 107.03 17.12 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -86.52 97.8 10.7 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -104.95 88.69 2.94 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-O 121.576 0.703 . . . . 0.0 110.477 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -103.18 88.07 3.05 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -82.34 -82.72 0.13 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.337 -172.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -165.41 -36.69 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 56.2 ttm -102.74 58.04 0.78 Allowed 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 174.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 16.6 m -77.34 -0.05 24.12 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.097 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' ASP . . . . . 0.414 ' HA ' ' HB3' ' A' ' -1' ' ' ASP . 7.2 m-20 -67.28 -14.79 63.24 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.102 1.361 . . . . 0.0 110.615 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.57 -48.26 72.98 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.48 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -89.18 -16.45 31.33 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 122.186 0.993 . . . . 0.0 109.198 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . 0.414 ' HB3' ' HA ' ' A' ' -4' ' ' ASP . 14.3 t70 -77.22 91.54 3.76 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.027 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -129.79 11.78 5.7 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.59 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -125.03 104.87 0.8 Allowed Glycine 0 N--CA 1.42 -2.384 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.386 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.2 mt -74.94 119.05 21.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 104.73 8.31 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.487 ' OG ' HG23 ' B' ' 33' ' ' VAL . 81.5 p -96.74 -156.61 0.54 Allowed 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.697 -175.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 33.5 p -166.29 126.82 1.7 Allowed 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.7 117.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.466 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.4 mmtt -105.88 169.44 8.48 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -176.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.57 112.53 25.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.004 0.43 . . . . 0.0 111.756 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -103.27 95.71 6.28 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.88 -115.43 4.12 Favored Glycine 0 N--CA 1.422 -2.244 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -115.17 28.01 8.99 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 173.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.4 m -135.71 134.46 20.8 Favored Pre-proline 0 N--CA 1.417 -2.088 0 O-C-N 122.105 -0.372 . . . . 0.0 110.083 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.465 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 18.2 Cg_endo -67.53 126.18 14.45 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.721 2.281 . . . . 0.0 111.347 176.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.09 137.43 36.19 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.342 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -110.96 139.54 34.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.47 120.35 25.81 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.74 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 3.2 mp -92.96 130.04 37.66 Favored Pre-proline 0 C--N 1.297 -1.695 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -60.26 127.42 22.97 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 122.112 1.875 . . . . 0.0 110.782 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.72 -30.66 65.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.106 0.562 . . . . 0.0 111.189 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 m -56.63 -36.08 69.07 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.665 0.786 . . . . 0.0 110.684 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.26 -33.93 28.97 Favored 'General case' 0 CA--C 1.484 -1.574 0 C-N-CA 122.809 0.444 . . . . 0.0 111.002 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.9 -47.8 70.77 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.067 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.39 -35.33 79.09 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.171 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.71 64.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 69.7 mt -102.51 -9.57 20.09 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.867 0.842 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 t30 60.83 68.59 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.411 1.884 . . . . 0.0 112.89 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.486 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -131.32 161.27 32.72 Favored 'General case' 0 N--CA 1.402 -2.837 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.527 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -127.2 -169.33 2.02 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.147 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -77.63 145.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.43 27.04 5.06 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 125.062 1.345 . . . . 0.0 109.098 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' B' ' 5' ' ' SER . 21.0 t0 -99.3 136.04 39.83 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HA ' ' O ' ' B' ' 4' ' ' SER . 38.6 tt0 -86.76 126.0 34.3 Favored 'General case' 0 C--N 1.28 -2.432 0 C-N-CA 124.26 1.024 . . . . 0.0 110.147 -173.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.542 HG23 ' OG ' ' B' ' 4' ' ' SER . 1.7 m -126.77 158.86 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.192 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -91.88 121.45 33.5 Favored 'General case' 0 C--N 1.286 -2.171 0 C-N-CA 119.045 -1.062 . . . . 0.0 110.973 174.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.0 mm -89.85 90.26 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 11.7 t70 -103.51 123.39 46.82 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -171.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -86.27 127.06 34.71 Favored 'General case' 0 N--CA 1.387 -3.589 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -143.71 124.97 10.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.052 -1.431 . . . . 0.0 108.671 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 55.64 23.05 5.78 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.253 1.421 . . . . 0.0 112.959 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.34 13.47 68.16 Favored Glycine 0 C--N 1.297 -1.609 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.576 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 158.0 33.68 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.0 mt -91.51 120.34 32.24 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-O 121.973 0.892 . . . . 0.0 108.959 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.424 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 50.9 mm -101.63 123.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.228 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.635 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.8 mm -107.11 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.734 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.97 133.54 23.92 Favored Pre-proline 0 C--N 1.294 -1.805 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -81.42 165.34 18.61 Favored 'Trans proline' 0 N--CA 1.401 -3.918 0 C-N-CA 120.838 1.025 . . . . 0.0 109.55 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.488 HG21 ' HA ' ' A' ' 33' ' ' VAL . 33.5 t -94.47 105.86 17.43 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.078 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -82.18 131.3 35.24 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.148 -173.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -81.21 97.26 7.54 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 114.473 -1.239 . . . . 0.0 110.408 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.278 -2.511 0 CA-C-N 113.932 -1.486 . . . . 0.0 107.082 175.192 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 CA--C 1.509 -0.625 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' -15' ' ' HIS . . . . . 0.528 ' O ' ' HG2' ' B' ' -14' ' ' LYS . 62.0 m-70 -95.38 96.49 9.16 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 104.856 -2.275 . . . . 0.0 104.856 172.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' -14' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' B' ' -15' ' ' HIS . 6.8 ptpp? 71.93 162.54 0.26 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.941 2.496 . . . . 0.0 109.574 -169.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 64.2 t -77.21 102.16 3.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -86.06 102.13 13.56 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -77.44 110.48 12.25 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -10' ' ' HIS . . . . . 0.444 ' NE2' ' HB2' ' B' ' -8' ' ' HIS . 76.4 t60 -116.44 87.12 2.62 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 121.457 0.646 . . . . 0.0 110.045 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -99.57 91.51 4.93 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 175.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -8' ' ' HIS . . . . . 0.444 ' HB2' ' NE2' ' B' ' -10' ' ' HIS . 13.9 t-160 -80.73 -79.04 0.16 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.333 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -168.89 -53.22 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 57.1 ttm -88.65 71.83 8.76 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 8.2 m -88.89 2.41 53.79 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.299 1.047 . . . . 0.0 109.091 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.56 -14.4 61.01 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 113.841 -1.527 . . . . 0.0 110.549 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -66.71 -50.98 61.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -82.7 -25.44 32.97 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.561 0.696 . . . . 0.0 110.489 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -76.9 90.35 3.52 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.159 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -128.28 12.71 6.57 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 36' ' ' ASP . . . -122.38 107.05 1.11 Allowed Glycine 0 N--CA 1.42 -2.413 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.362 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 59.1 mt -76.35 117.51 21.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -76.02 107.75 8.45 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' SER . . . . . 0.542 ' OG ' HG23 ' A' ' 33' ' ' VAL . 64.4 p -101.44 -159.18 0.72 Allowed 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.27 -174.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.526 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 15.2 p -164.52 125.96 2.18 Favored 'General case' 0 N--CA 1.415 -2.189 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 176.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.64 112.36 16.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -101.28 174.16 6.12 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -107.78 112.47 25.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.092 0.472 . . . . 0.0 111.696 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -104.22 98.7 8.46 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.85 -120.16 5.61 Favored Glycine 0 N--CA 1.425 -2.043 0 N-CA-C 107.402 -2.279 . . . . 0.0 107.402 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -115.25 31.36 6.75 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 117.073 0.436 . . . . 0.0 110.419 172.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -134.05 135.03 23.62 Favored Pre-proline 0 N--CA 1.42 -1.953 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.402 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 18.8 Cg_endo -67.13 127.45 16.79 Favored 'Trans proline' 0 C--O 1.246 0.908 0 C-N-CA 122.891 2.394 . . . . 0.0 111.399 175.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.34 137.58 34.21 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.359 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 p -109.53 140.78 26.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.75 120.05 25.98 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . 0.465 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -93.99 129.28 38.18 Favored Pre-proline 0 C--N 1.305 -1.356 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -59.44 127.94 25.57 Favored 'Trans proline' 0 C--O 1.253 1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 110.927 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.1 63.07 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.27 0.628 . . . . 0.0 111.197 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -58.81 -39.16 80.34 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.547 0.739 . . . . 0.0 110.387 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.38 -32.94 43.22 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.6 mmm -54.23 -48.02 71.54 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.434 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.98 -33.99 72.78 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.589 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.2 75.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.353 0.597 . . . . 0.0 111.75 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . 0.449 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 75.3 mt -95.08 -14.95 23.79 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.393 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 66.8 70.17 0.4 Allowed 'General case' 0 C--O 1.254 1.298 0 C-N-CA 125.68 1.592 . . . . 0.0 112.483 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -133.83 160.23 38.24 Favored 'General case' 0 N--CA 1.396 -3.143 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.566 172.662 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -126.67 -171.96 2.53 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -76.74 142.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 71.07 25.49 3.68 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.196 1.798 . . . . 0.0 109.578 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ASP . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' SER . 9.9 t70 -95.39 132.57 40.3 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.7 tt0 -82.11 127.03 32.71 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.895 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' VAL . . . . . 0.487 HG23 ' OG ' ' A' ' 4' ' ' SER . 1.2 m -129.0 153.87 39.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.794 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -87.41 126.55 34.94 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.011 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.41 HG23 HD22 ' B' ' 42' ' ' LEU . 15.7 mm -93.33 91.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 168.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -104.67 125.03 50.38 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -86.82 125.02 33.68 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-O 122.012 0.911 . . . . 0.0 109.078 -176.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -141.83 123.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.507 0 CA-C-N 114.01 -1.45 . . . . 0.0 108.985 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 57.14 21.62 6.67 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.772 1.229 . . . . 0.0 113.215 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.18 14.54 62.15 Favored Glycine 0 C--N 1.306 -1.112 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.1 158.44 38.0 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 173.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . 0.41 HD22 HG23 ' B' ' 35' ' ' ILE . 68.5 mt -90.58 120.82 31.98 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 121.84 0.829 . . . . 0.0 109.31 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 50.9 mm -102.56 126.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.32 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.821 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mm -109.31 104.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.965 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.52 131.88 24.31 Favored Pre-proline 0 C--N 1.295 -1.793 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -80.24 164.84 21.66 Favored 'Trans proline' 0 N--CA 1.404 -3.776 0 C-N-CA 120.989 1.126 . . . . 0.0 109.45 -176.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.435 HG21 ' HA ' ' B' ' 33' ' ' VAL . 36.6 t -92.52 112.38 25.89 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.06 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -88.23 134.45 33.79 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.629 -172.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -83.2 97.41 8.83 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.542 -172.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.271 -2.807 0 CA-C-N 113.383 -1.735 . . . . 0.0 106.866 176.884 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -85.41 142.56 29.18 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.472 ' OG ' HG22 ' B' ' 33' ' ' VAL . 82.2 p -141.38 -158.83 0.9 Allowed 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 20.9 t -161.31 134.06 6.16 Favored 'General case' 0 N--CA 1.413 -2.278 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.89 116.88 29.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -110.24 176.15 5.16 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.588 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -102.09 110.37 22.31 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.215 0.531 . . . . 0.0 111.174 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -97.91 96.46 8.2 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 -118.43 4.71 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -174.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -114.94 26.23 10.31 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 116.989 0.394 . . . . 0.0 110.354 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.6 m -131.46 141.55 42.15 Favored Pre-proline 0 N--CA 1.418 -2.071 0 O-C-N 121.94 -0.475 . . . . 0.0 110.561 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -68.5 121.04 7.95 Favored 'Trans proline' 0 C--N 1.322 -0.849 0 C-N-CA 123.251 2.634 . . . . 0.0 112.271 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.22 135.91 39.47 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG12 HD11 ' B' ' 17' ' ' ILE . 9.6 p -112.43 153.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 119.64 30.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.463 HD11 HG12 ' B' ' 15' ' ' VAL . 2.7 mp -86.62 129.36 53.16 Favored Pre-proline 0 C--N 1.302 -1.478 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.53 122.6 11.93 Favored 'Trans proline' 0 C--O 1.248 1.011 0 C-N-CA 122.308 2.005 . . . . 0.0 111.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.478 0.711 . . . . 0.0 110.612 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -60.45 -39.29 87.02 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.418 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.39 -30.81 33.52 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 121.988 -0.445 . . . . 0.0 110.972 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.9 mmm -52.75 -50.71 62.94 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.241 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -64.45 -37.61 88.13 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.058 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.83 -34.66 75.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.056 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 ' HG ' ' B' ' 42' ' ' LEU . 95.0 mt -101.23 -3.32 29.22 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.782 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.6 57.13 0.88 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.119 1.367 . . . . 0.0 113.351 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.83 158.72 37.92 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -129.32 -177.35 4.21 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.862 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.9 mm -63.95 142.02 17.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.439 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 76.31 12.06 2.73 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.617 1.567 . . . . 0.0 110.609 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' B' ' 5' ' ' SER . 5.5 t0 -85.07 164.98 17.88 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.2 tt0 -111.41 130.84 55.57 Favored 'General case' 0 C--N 1.261 -3.261 0 C-N-CA 123.619 0.767 . . . . 0.0 109.555 -175.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.8 m -121.82 157.91 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.177 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.152 177.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -108.42 116.36 31.82 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.037 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -95.92 118.32 41.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.71 130.87 56.6 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.987 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -90.3 124.62 35.05 Favored 'General case' 0 N--CA 1.382 -3.873 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -139.48 108.26 3.43 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.985 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.361 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 61.46 31.89 18.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.685 0.794 . . . . 0.0 112.322 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.39 17.41 76.13 Favored Glycine 0 C--N 1.308 -1.019 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.194 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -119.58 144.28 47.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 35' ' ' ILE . 64.0 mt -94.74 118.33 31.56 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-O 122.061 0.934 . . . . 0.0 109.531 174.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.3 mm -105.43 123.18 59.58 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.122 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.105 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 49.4 mm -100.72 114.26 39.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.859 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -118.11 137.51 24.6 Favored Pre-proline 0 C--N 1.296 -1.718 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.17 165.06 9.85 Favored 'Trans proline' 0 N--CA 1.401 -3.916 0 CA-C-N 120.499 1.214 . . . . 0.0 109.318 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.263 -3.163 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -178.671 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--O 1.222 -0.371 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.08 137.6 32.23 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 33' ' ' VAL . 76.3 p -132.33 -153.97 0.59 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.241 -173.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 17.1 t -166.35 132.8 2.5 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.63 113.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -106.48 176.62 5.11 Favored 'General case' 0 C--N 1.275 -2.667 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.573 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -101.94 113.76 27.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 120.845 0.355 . . . . 0.0 111.167 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -103.68 98.6 8.44 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.9 -119.55 5.26 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 107.325 -2.31 . . . . 0.0 107.325 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -114.98 28.57 8.63 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 117.175 0.488 . . . . 0.0 110.132 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -132.16 140.29 37.59 Favored Pre-proline 0 N--CA 1.418 -2.062 0 O-C-N 121.797 -0.564 . . . . 0.0 110.53 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 19.7 Cg_endo -68.09 120.97 7.94 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.83 134.36 38.8 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.463 HG12 HD11 ' A' ' 17' ' ' ILE . 9.6 p -112.06 152.61 13.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.982 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 123.25 33.23 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.452 HD11 HG12 ' A' ' 15' ' ' VAL . 2.7 mp -88.2 129.76 48.58 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.41 123.69 14.17 Favored 'Trans proline' 0 C--O 1.25 1.084 0 C-N-CA 122.254 1.969 . . . . 0.0 111.578 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -25.24 67.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.665 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -61.62 -39.23 90.54 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.953 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.84 -32.22 31.27 Favored 'General case' 0 CA--C 1.478 -1.807 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 89.8 mmm -51.7 -52.2 50.11 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.481 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -63.73 -37.02 85.79 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.571 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.78 74.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.297 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -101.54 0.95 37.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 67.82 36.96 3.31 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.39 160.02 16.52 Favored 'General case' 0 N--CA 1.418 -2.055 0 O-C-N 122.004 -0.435 . . . . 0.0 110.495 174.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -133.36 -176.37 4.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 123.418 0.687 . . . . 0.0 111.494 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.1 mm -65.45 141.67 17.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 t70 74.75 12.0 3.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.205 1.802 . . . . 0.0 110.711 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.0 t0 -83.36 166.75 18.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 4' ' ' SER . 31.8 tt0 -113.5 129.68 56.5 Favored 'General case' 0 C--N 1.255 -3.525 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -174.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.472 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.1 m -122.84 153.51 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.926 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.544 ' HG2' ' OD1' ' B' ' 36' ' ' ASP . 24.5 ttpp -106.27 117.65 34.59 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.321 0.582 . . . . 0.0 109.757 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.445 ' CG2' HD22 ' B' ' 42' ' ' LEU . 4.0 mp -95.4 114.31 31.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.544 ' OD1' ' HG2' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -113.53 129.53 56.54 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.176 -178.671 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -91.81 125.23 36.44 Favored 'General case' 0 N--CA 1.384 -3.729 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.56 110.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.995 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.493 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.03 29.5 14.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.454 0.702 . . . . 0.0 112.366 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.14 20.96 74.69 Favored Glycine 0 C--N 1.309 -0.921 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -122.98 142.66 50.59 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.445 HD22 ' CG2' ' B' ' 35' ' ' ILE . 53.4 mt -92.32 118.07 30.53 Favored 'General case' 0 CA--C 1.483 -1.62 0 CA-C-O 121.886 0.85 . . . . 0.0 109.834 175.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.04 123.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.058 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.248 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 50.4 mm -99.93 114.55 38.7 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.937 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -118.12 137.17 24.27 Favored Pre-proline 0 C--N 1.293 -1.873 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -87.11 162.07 8.64 Favored 'Trans proline' 1 N--CA 1.397 -4.18 0 CA-C-N 120.697 1.285 . . . . 0.0 109.435 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.266 -3.053 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.202 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 N--CA 1.43 -1.434 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -71.62 133.82 45.96 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.02 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.9 m -149.64 -168.23 3.05 Favored 'General case' 0 C--N 1.279 -2.479 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.485 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.5 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 67.7 m -150.59 160.47 43.78 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 118.1 0.409 . . . . 0.0 110.652 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.83 130.46 47.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HE3' ' HB2' ' A' ' 5' ' ' SER . 0.6 OUTLIER -127.48 172.52 10.62 Favored 'General case' 0 C--N 1.274 -2.68 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.081 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -107.6 120.86 43.4 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.758 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -102.3 94.82 5.91 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.07 -131.14 13.35 Favored Glycine 0 N--CA 1.427 -1.908 0 N-CA-C 107.571 -2.212 . . . . 0.0 107.571 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -93.34 8.64 39.63 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 117.869 0.834 . . . . 0.0 112.553 173.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -113.57 129.45 24.65 Favored Pre-proline 0 N--CA 1.412 -2.36 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -63.2 130.55 29.12 Favored 'Trans proline' 0 C--N 1.301 -1.945 0 C-N-CA 122.569 2.179 . . . . 0.0 110.161 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.31 138.59 45.08 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-O 121.268 0.556 . . . . 0.0 110.724 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -108.02 137.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -82.76 117.23 22.52 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.264 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.18 134.95 20.47 Favored Pre-proline 0 C--N 1.302 -1.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.949 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.33 125.74 17.64 Favored 'Trans proline' 0 C--O 1.251 1.144 0 C-N-CA 122.55 2.167 . . . . 0.0 111.139 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.74 -27.09 66.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.111 0.482 . . . . 0.0 111.328 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -60.49 -33.86 73.21 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.813 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.88 -33.2 34.51 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-O 121.214 0.53 . . . . 0.0 110.855 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 56.4 mmm -53.92 -51.81 62.56 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.292 172.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 89.5 mt-30 -62.02 -34.31 75.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.843 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.51 68.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.443 0.64 . . . . 0.0 111.243 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -98.1 -1.61 41.96 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.347 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 66.5 17.5 10.66 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.979 1.312 . . . . 0.0 113.093 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 pp -98.69 162.83 12.91 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -138.06 175.55 9.48 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 121.302 0.572 . . . . 0.0 111.7 -171.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 140.67 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 t70 81.2 6.59 1.27 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.753 1.621 . . . . 0.0 111.19 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.99 160.61 14.5 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.34 135.58 39.04 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 123.739 0.816 . . . . 0.0 110.548 -171.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.83 157.08 43.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.635 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' ' 47' ' ' VAL . 22.0 mtpp -93.32 122.71 36.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.474 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.54 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 164.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 9.1 t70 -99.47 135.56 40.7 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.45 123.57 37.94 Favored 'General case' 0 N--CA 1.393 -3.279 0 CA-C-O 121.631 0.729 . . . . 0.0 109.561 -175.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' A' ' 43' ' ' ILE . 40.6 t -141.57 126.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.467 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 59.55 21.6 10.15 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.779 1.232 . . . . 0.0 112.703 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.54 16.52 73.24 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 114.038 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -129.1 166.39 19.39 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 117.91 0.855 . . . . 0.0 110.274 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.83 125.5 33.33 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.933 0.873 . . . . 0.0 109.402 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.586 HG13 ' HB ' ' A' ' 38' ' ' VAL . 44.0 mm -116.62 139.02 45.3 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.468 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.977 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 67.6 mt -113.19 111.09 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 CA-C-O 121.92 0.867 . . . . 0.0 109.86 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 33.0 tt0 -132.33 131.48 22.37 Favored Pre-proline 0 C--N 1.277 -2.568 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -81.73 170.3 14.3 Favored 'Trans proline' 0 N--CA 1.417 -3.003 0 CA-C-N 120.161 1.093 . . . . 0.0 112.701 -171.679 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 34' ' ' LYS . 44.7 t . . . . . 0 C--N 1.281 -2.374 0 N-CA-C 106.263 -1.755 . . . . 0.0 106.263 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -75.28 131.83 40.6 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.401 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.5 m -143.38 -167.65 2.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.692 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.482 ' HB2' ' HE3' ' B' ' 7' ' ' LYS . 68.5 m -151.25 156.89 41.78 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 t -96.1 133.47 37.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.482 ' HE3' ' HB2' ' B' ' 5' ' ' SER . 0.6 OUTLIER -129.65 170.87 13.25 Favored 'General case' 0 C--N 1.279 -2.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 175.276 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -105.92 117.4 33.92 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.616 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -99.01 97.71 8.83 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -126.19 12.73 Favored Glycine 0 N--CA 1.43 -1.726 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -98.49 14.79 27.0 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 29.9 t -121.61 125.37 26.82 Favored Pre-proline 0 N--CA 1.406 -2.642 0 O-C-N 121.693 -0.629 . . . . 0.0 110.335 -174.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -59.84 128.4 26.69 Favored 'Trans proline' 0 C--O 1.246 0.912 0 C-N-CA 122.256 1.971 . . . . 0.0 109.59 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.458 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -133.12 139.13 46.93 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-O 121.134 0.492 . . . . 0.0 110.505 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.69 137.58 39.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.85 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -82.41 118.42 23.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 O-C-N 123.994 0.809 . . . . 0.0 111.261 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.48 134.75 20.07 Favored Pre-proline 0 C--N 1.3 -1.581 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -62.1 125.6 16.8 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 122.229 1.952 . . . . 0.0 110.536 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.87 -28.09 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -58.1 -35.27 71.19 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 124.017 0.927 . . . . 0.0 111.122 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.52 -31.8 47.74 Favored 'General case' 0 CA--C 1.473 -1.991 0 CA-C-O 121.079 0.466 . . . . 0.0 111.16 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' B' ' 22' ' ' MET . 64.8 mtp -57.84 -48.27 80.27 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.762 174.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.76 -35.74 79.0 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.756 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.4 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.601 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.61 -0.92 51.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 61.26 25.29 15.29 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.115 1.366 . . . . 0.0 112.729 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -105.1 159.22 16.01 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -134.73 176.06 8.98 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 121.149 0.499 . . . . 0.0 111.94 -172.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -66.6 141.18 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.23 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.8 t70 82.91 3.16 1.04 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.46 1.904 . . . . 0.0 111.317 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.96 159.0 15.95 Favored 'General case' 0 N--CA 1.42 -1.933 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.734 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -97.0 134.58 40.18 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 124.282 1.033 . . . . 0.0 110.139 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.21 155.7 42.1 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.174 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.52 ' HG3' HG22 ' B' ' 47' ' ' VAL . 22.5 mtpp -91.65 120.72 32.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.03 95.88 5.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 164.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.07 144.08 28.62 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.41 124.47 48.04 Favored 'General case' 0 N--CA 1.384 -3.746 0 CA-C-O 121.373 0.606 . . . . 0.0 109.371 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.504 ' HB ' HG13 ' B' ' 43' ' ' ILE . 39.7 t -142.93 131.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.163 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 58.88 21.84 9.58 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.85 0.86 . . . . 0.0 112.913 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.46 0.63 88.17 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.84 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -118.7 166.32 12.91 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 117.871 0.835 . . . . 0.0 111.395 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 44.9 mt -84.02 125.66 32.3 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 121.775 0.798 . . . . 0.0 109.892 -176.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.504 HG13 ' HB ' ' B' ' 38' ' ' VAL . 43.8 mm -117.88 138.81 47.35 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.266 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.034 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.27 113.68 44.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.822 0.82 . . . . 0.0 109.877 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -134.39 132.51 20.99 Favored Pre-proline 0 C--N 1.278 -2.504 0 N-CA-C 104.276 -2.49 . . . . 0.0 104.276 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -79.79 170.73 16.47 Favored 'Trans proline' 0 N--CA 1.422 -2.704 0 C-N-CA 121.141 1.227 . . . . 0.0 112.37 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.52 HG22 ' HG3' ' B' ' 34' ' ' LYS . 45.3 t . . . . . 0 C--N 1.283 -2.296 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' B' ' 35' ' ' ILE . 60.0 mt . . . . . 0 N--CA 1.424 -1.766 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -112.31 137.0 51.06 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.7 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 m -148.3 -161.3 1.31 Allowed 'General case' 0 C--N 1.277 -2.573 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.724 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -154.56 168.72 25.8 Favored 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.44 HG22 ' CG1' ' A' ' 15' ' ' VAL . 45.6 t -95.66 129.71 45.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -117.45 172.46 7.31 Favored 'General case' 0 C--N 1.284 -2.273 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.915 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -99.01 107.15 19.5 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.075 0.464 . . . . 0.0 110.921 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -92.6 93.39 8.49 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.29 -117.69 5.09 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 108.3 -1.92 . . . . 0.0 108.3 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -112.31 28.06 9.1 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.928 0.364 . . . . 0.0 111.393 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -140.35 132.97 14.68 Favored Pre-proline 0 N--CA 1.419 -1.998 0 O-C-N 121.401 -0.812 . . . . 0.0 109.906 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 10.4 Cg_endo -62.44 129.72 27.66 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 122.972 2.448 . . . . 0.0 112.3 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -137.38 140.05 41.15 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG22 HD11 ' B' ' 17' ' ' ILE . 27.5 m -110.61 145.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -89.4 122.03 32.22 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 123.43 0.456 . . . . 0.0 110.578 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 3.2 mp -91.49 125.23 58.58 Favored Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -59.39 131.75 42.51 Favored 'Trans proline' 0 C--O 1.247 0.94 0 C-N-CA 122.349 2.033 . . . . 0.0 111.739 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.39 -29.62 67.84 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.477 0.711 . . . . 0.0 110.668 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -60.06 -37.6 80.34 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.859 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -82.58 -32.27 28.55 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.847 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.3 mmm -52.73 -51.75 59.18 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.489 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.62 -36.73 84.58 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.461 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.87 76.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.502 0.668 . . . . 0.0 111.569 -174.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 HD21 ' B' ' 37' ' ' LEU . 82.8 mt -98.3 1.37 47.05 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.244 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 64.74 30.8 12.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.041 1.336 . . . . 0.0 114.278 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.6 161.92 13.28 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.055 0.455 . . . . 0.0 110.453 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 21.0 p30 -124.67 -179.95 4.72 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.785 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.1 mm -66.3 140.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 175.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.38 25.67 4.37 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.757 2.023 . . . . 0.0 110.192 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 6.0 t70 -85.17 134.77 34.15 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.12 133.93 44.29 Favored 'General case' 0 C--N 1.283 -2.304 0 C-N-CA 124.479 1.112 . . . . 0.0 110.179 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.8 m -133.0 149.09 31.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 121.122 0.487 . . . . 0.0 111.541 -178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -102.86 131.31 49.85 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.193 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.13 117.3 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.23 140.13 52.79 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 HD21 ' B' ' 25' ' ' LEU . 0.6 OUTLIER -94.24 124.73 38.44 Favored 'General case' 1 N--CA 1.379 -4.013 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -178.052 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.06 109.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.484 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.47 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 51.25 61.54 3.18 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.86 0.864 . . . . 0.0 112.243 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.16 -3.01 7.9 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 114.867 -1.06 . . . . 0.0 114.812 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -97.17 141.69 29.99 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 117.436 0.618 . . . . 0.0 110.791 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 16.8 mt -90.98 100.45 13.31 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 166.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.6 mm -83.58 128.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.982 0 CA-C-N 114.181 -1.372 . . . . 0.0 108.498 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.417 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.6 mm -126.92 122.38 60.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.789 0.68 . . . . 0.0 110.175 -171.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 46' ' ' PRO . 9.2 tp10 -130.39 136.12 28.49 Favored Pre-proline 0 C--N 1.293 -1.863 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.4 Cg_endo -84.32 155.07 12.51 Favored 'Trans proline' 0 N--CA 1.405 -3.677 0 C-N-CA 121.737 1.624 . . . . 0.0 109.581 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' A' ' 33' ' ' VAL . 3.8 t . . . . . 0 C--N 1.245 -3.962 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt . . . . . 0 N--CA 1.426 -1.641 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -117.93 132.16 56.44 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.635 0.731 . . . . 0.0 110.296 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 74.3 m -138.28 -161.11 1.13 Allowed 'General case' 0 C--N 1.279 -2.492 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.386 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.6 p -155.59 162.86 40.56 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.431 HG22 ' CG1' ' B' ' 15' ' ' VAL . 44.3 t -92.66 134.97 28.92 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -121.59 174.36 6.85 Favored 'General case' 0 C--N 1.279 -2.484 0 C-N-CA 119.36 -0.936 . . . . 0.0 109.508 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -103.29 106.27 16.75 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.279 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.93 93.52 9.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.12 -115.22 4.57 Favored Glycine 0 N--CA 1.426 -2.025 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -114.79 30.5 7.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.318 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 62.7 m -144.59 133.35 11.06 Favored Pre-proline 0 N--CA 1.43 -1.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.7 Cg_endo -63.78 130.36 27.59 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.036 2.491 . . . . 0.0 111.975 177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . -137.22 142.34 42.06 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.072 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 17' ' ' ILE . 29.2 m -111.6 146.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -88.1 123.96 33.3 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 123.749 0.656 . . . . 0.0 110.1 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -94.67 124.03 56.19 Favored Pre-proline 0 C--N 1.304 -1.406 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -59.64 132.15 44.07 Favored 'Trans proline' 0 C--O 1.254 1.279 0 C-N-CA 122.556 2.171 . . . . 0.0 111.653 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.83 66.84 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.968 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -59.01 -40.19 84.16 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.169 0.987 . . . . 0.0 110.33 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.51 -32.19 32.5 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.636 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 88.4 mmm -52.97 -48.78 67.17 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.468 173.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.64 -34.39 75.64 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.576 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -29.52 61.08 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.623 0.725 . . . . 0.0 111.901 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.426 HD21 HD21 ' A' ' 37' ' ' LEU . 84.5 mt -102.34 -1.3 31.22 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.231 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 65.52 38.22 5.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.514 1.126 . . . . 0.0 113.196 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -109.21 158.31 17.95 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-O 121.217 0.532 . . . . 0.0 110.713 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 17.3 p30 -119.11 -177.33 3.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.756 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.35 140.76 17.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 71.9 24.65 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.947 2.099 . . . . 0.0 110.24 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 10.7 t70 -79.96 127.18 31.96 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.22 133.5 48.94 Favored 'General case' 0 C--N 1.287 -2.128 0 O-C-N 124.225 0.953 . . . . 0.0 109.766 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.9 m -132.98 145.82 33.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-O 120.886 0.374 . . . . 0.0 110.602 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -99.98 132.59 45.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.554 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.499 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -118.05 114.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -123.82 141.04 52.4 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.084 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -93.44 125.85 38.26 Favored 'General case' 0 N--CA 1.385 -3.69 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -178.107 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -142.57 105.11 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.434 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 52.77 62.43 2.69 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.682 1.193 . . . . 0.0 112.213 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 2.25 43.78 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 114.557 -1.201 . . . . 0.0 114.729 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -104.46 143.52 32.9 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 117.471 0.636 . . . . 0.0 110.993 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 42.9 mt -92.92 99.64 12.25 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 167.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.48 127.17 39.99 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.055 0 CA-C-N 114.028 -1.442 . . . . 0.0 108.44 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 42.1 mm -125.07 122.49 63.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.241 -172.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.409 ' OE2' ' HD2' ' B' ' 46' ' ' PRO . 8.4 tp10 -130.59 136.88 29.64 Favored Pre-proline 0 C--N 1.286 -2.159 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' OE2' ' B' ' 45' ' ' GLU . 1.5 Cg_endo -80.54 170.32 15.98 Favored 'Trans proline' 0 N--CA 1.409 -3.476 0 C-N-CA 121.541 1.494 . . . . 0.0 109.059 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' B' ' 33' ' ' VAL . 4.1 t . . . . . 0 C--N 1.261 -3.255 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' B' ' 32' ' ' GLU . 1.7 p-80 -81.7 143.86 31.56 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.536 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 76.8 p -138.44 -152.0 0.41 Allowed 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.155 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 18.4 p -159.0 134.57 8.62 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.37 105.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 173.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.77 167.23 9.85 Favored 'General case' 0 C--N 1.278 -2.505 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -102.74 118.67 37.35 Favored 'General case' 0 C--N 1.296 -1.761 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.702 -174.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -107.14 97.65 7.39 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.76 -129.61 13.66 Favored Glycine 0 N--CA 1.428 -1.851 0 N-CA-C 107.287 -2.325 . . . . 0.0 107.287 -173.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.64 27.26 8.14 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 117.355 0.578 . . . . 0.0 110.6 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -127.43 121.88 22.59 Favored Pre-proline 0 N--CA 1.425 -1.691 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -61.27 129.7 29.38 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.289 1.992 . . . . 0.0 110.478 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.95 138.96 52.83 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-O 121.073 0.463 . . . . 0.0 111.41 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.38 125.99 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.121 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -77.48 123.04 26.04 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.632 0.582 . . . . 0.0 111.189 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.55 131.87 24.11 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.16 134.39 36.45 Favored 'Trans proline' 0 C--O 1.249 1.072 0 C-N-CA 121.638 1.558 . . . . 0.0 110.272 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.09 -28.69 64.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.063 0.545 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.2 m -62.5 -38.78 91.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.345 0.658 . . . . 0.0 110.344 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -34.85 61.28 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-O 121.211 0.529 . . . . 0.0 111.093 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.7 mmm -54.69 -49.79 69.84 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.312 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.89 -37.98 89.42 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.539 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.6 87.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.464 0.649 . . . . 0.0 112.112 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 60.8 mt -93.85 -16.06 24.45 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.026 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 t30 67.14 69.65 0.39 Allowed 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.241 1.416 . . . . 0.0 111.749 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -133.66 159.99 38.85 Favored 'General case' 0 N--CA 1.4 -2.975 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 173.282 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -133.82 -176.97 4.35 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.9 mm -64.88 144.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 81.77 15.87 0.49 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.296 1.438 . . . . 0.0 112.516 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' B' ' 5' ' ' SER . 11.0 t70 -78.44 123.52 27.12 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.604 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 22.9 tt0 -86.7 104.31 15.97 Favored 'General case' 0 C--N 1.278 -2.534 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.4 m -100.73 161.57 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.175 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.207 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG3' HG21 ' A' ' 47' ' ' VAL . 52.6 mtmt -100.03 127.02 46.3 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.096 177.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.14 108.01 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 169.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -122.13 131.46 53.97 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.26 125.13 43.22 Favored 'General case' 0 N--CA 1.387 -3.605 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.4 t -147.53 134.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.25 21.9 12.32 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.992 0.917 . . . . 0.0 112.469 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.29 23.35 77.43 Favored Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.894 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 51.8 pttt -129.85 158.76 38.58 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 14.8 mt -88.45 118.83 28.35 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.88 120.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.951 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 47.7 mm -120.97 116.64 50.46 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.831 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.5 mt-10 -127.66 148.48 67.0 Favored Pre-proline 0 C--N 1.284 -2.28 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -89.73 154.85 5.12 Favored 'Trans proline' 0 N--CA 1.413 -3.246 0 C-N-CA 122.107 1.871 . . . . 0.0 109.19 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.604 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 32.6 t . . . . . 1 C--N 1.233 -4.471 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.084 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -82.28 136.17 35.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.637 0.732 . . . . 0.0 111.971 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.562 ' OG ' HG22 ' A' ' 33' ' ' VAL . 60.9 p -130.55 -153.24 0.55 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.225 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 34.6 p -160.44 131.41 5.61 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.69 109.12 7.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -107.71 166.71 10.49 Favored 'General case' 0 C--N 1.284 -2.267 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -101.03 120.07 39.66 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.158 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -107.62 97.44 7.17 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.6 -128.98 16.01 Favored Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -174.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -100.95 17.16 22.98 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 117.945 0.872 . . . . 0.0 112.253 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -122.05 127.92 25.75 Favored Pre-proline 0 N--CA 1.424 -1.728 0 O-C-N 122.03 -0.419 . . . . 0.0 110.017 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -62.68 130.29 29.19 Favored 'Trans proline' 0 C--O 1.244 0.783 0 C-N-CA 122.593 2.196 . . . . 0.0 110.462 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -128.36 138.94 52.59 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 120.991 0.424 . . . . 0.0 111.396 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 92.5 t -104.16 127.24 58.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.13 124.96 28.82 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 123.457 0.473 . . . . 0.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -101.42 129.66 26.43 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -65.39 134.68 39.69 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.021 1.814 . . . . 0.0 110.112 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -57.93 -30.57 66.04 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 123.187 0.595 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -62.25 -34.95 77.5 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.484 -1.577 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.83 -48.93 69.44 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.728 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 76.5 mt-30 -63.97 -38.86 92.61 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.097 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.15 76.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.222 0.534 . . . . 0.0 112.305 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 74.1 mt -99.9 -5.42 28.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 t30 60.91 64.57 1.12 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.019 1.328 . . . . 0.0 112.713 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -128.98 167.15 17.87 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -139.01 -175.9 4.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mm -69.44 144.81 13.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 82.07 13.32 0.56 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 125.121 1.368 . . . . 0.0 112.948 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 5' ' ' SER . 13.3 t70 -79.17 128.22 33.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.584 ' O ' ' HB ' ' B' ' 47' ' ' VAL . 21.5 tt0 -87.05 106.15 17.65 Favored 'General case' 0 C--N 1.285 -2.239 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.514 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.3 m -103.2 160.01 4.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.579 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.467 ' HG3' HG21 ' B' ' 47' ' ' VAL . 50.8 mtmt -98.88 129.43 45.24 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.313 0.383 . . . . 0.0 110.11 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.35 104.01 15.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 29.2 t70 -121.73 129.08 52.45 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 126.7 41.96 Favored 'General case' 0 N--CA 1.39 -3.438 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -175.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 50.3 t -146.7 134.73 15.3 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.213 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.48 22.06 7.64 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 124.011 0.925 . . . . 0.0 113.265 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.17 21.54 77.86 Favored Glycine 0 N--CA 1.437 -1.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.772 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 47.5 pttt -130.18 158.74 38.87 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 176.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 42.7 mt -86.24 118.16 25.51 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 39.7 mm -98.12 119.84 46.67 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.986 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 48.3 mm -120.32 115.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.92 -174.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.94 148.81 61.11 Favored Pre-proline 0 C--N 1.283 -2.29 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -89.39 155.86 5.45 Favored 'Trans proline' 0 N--CA 1.41 -3.396 0 C-N-CA 121.887 1.725 . . . . 0.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' B' ' 32' ' ' GLU . 21.2 t . . . . . 0 C--N 1.248 -3.831 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.274 -174.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -90.48 135.21 33.83 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.273 0.558 . . . . 0.0 110.764 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 47.3 m -149.14 -166.64 2.61 Favored 'General case' 0 C--N 1.279 -2.459 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.585 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 8.2 p -145.14 158.19 43.89 Favored 'General case' 0 N--CA 1.417 -2.093 0 CA-C-O 121.169 0.509 . . . . 0.0 110.829 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -93.58 117.18 36.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.585 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 57.6 mttm -117.49 172.05 7.59 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.112 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -98.87 118.66 36.13 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.552 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -112.55 94.09 4.75 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.93 -128.56 11.08 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 108.159 -1.976 . . . . 0.0 108.159 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -100.83 29.48 4.53 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -132.97 120.69 16.48 Favored Pre-proline 0 N--CA 1.414 -2.253 0 O-C-N 121.142 -0.973 . . . . 0.0 110.959 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -66.1 121.89 9.3 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.916 1.744 . . . . 0.0 110.216 172.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.62 145.1 51.82 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -113.02 143.6 22.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -81.24 129.33 34.55 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.594 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.9 130.65 22.51 Favored Pre-proline 0 C--N 1.311 -1.085 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -63.25 136.05 53.62 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.847 1.698 . . . . 0.0 111.242 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 23' ' ' GLN . . . -62.63 -27.41 69.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.098 0.475 . . . . 0.0 110.183 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -58.58 -39.43 80.31 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.408 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.46 -34.79 54.34 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-O 121.03 0.443 . . . . 0.0 110.633 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 84.4 mmm -53.63 -49.97 66.73 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.38 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 83.6 mm-40 -69.49 -32.88 72.03 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.508 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.37 75.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.414 0.626 . . . . 0.0 111.913 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.33 -2.86 23.42 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.594 0.711 . . . . 0.0 110.525 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.9 t30 55.59 63.73 1.97 Allowed 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 126.107 1.763 . . . . 0.0 113.305 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 158.85 26.83 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -124.73 179.04 5.15 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -69.38 135.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.032 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 71.47 27.3 3.08 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.84 1.656 . . . . 0.0 111.441 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -94.44 149.81 20.88 Favored 'General case' 0 N--CA 1.422 -1.858 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' B' ' 4' ' ' SER . 33.1 tt0 -90.64 137.59 32.24 Favored 'General case' 0 C--N 1.275 -2.642 0 O-C-N 123.717 0.635 . . . . 0.0 111.799 -170.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.5 m -135.5 158.33 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.102 0.477 . . . . 0.0 111.699 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' HG22 ' A' ' 47' ' ' VAL . 52.9 mtmt -98.93 131.2 45.18 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.497 174.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.48 129.58 71.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 173.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -138.71 154.68 48.59 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -103.22 120.12 40.14 Favored 'General case' 1 N--CA 1.372 -4.355 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -143.41 124.55 10.74 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.627 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 61.23 24.04 14.19 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.372 1.082 . . . . 0.0 111.47 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.84 19.29 58.17 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.53 -0.759 . . . . 0.0 113.976 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 159.05 43.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 117.444 0.622 . . . . 0.0 109.428 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -91.14 120.84 32.42 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.238 1.018 . . . . 0.0 109.113 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -99.29 117.08 43.9 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.361 0 CA-C-N 113.491 -1.686 . . . . 0.0 108.173 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.86 104.9 17.81 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.971 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 31.0 tt0 -124.04 118.48 26.8 Favored Pre-proline 0 C--N 1.291 -1.94 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 7.6 Cg_endo -57.83 151.84 53.87 Favored 'Trans proline' 0 N--CA 1.431 -2.184 0 C-N-CA 124.017 3.144 . . . . 0.0 111.583 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.7 t . . . . . 0 C--N 1.269 -2.933 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -96.25 122.62 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.655 0.74 . . . . 0.0 111.865 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 60.1 m -134.22 -164.65 1.53 Allowed 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.851 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.607 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 5.7 p -143.39 167.06 23.07 Favored 'General case' 0 N--CA 1.414 -2.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.61 113.37 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.607 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 61.4 mttm -112.49 171.0 7.78 Favored 'General case' 0 C--N 1.264 -3.134 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.458 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -95.15 118.78 32.53 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.151 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -113.18 94.22 4.78 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.77 -127.24 10.27 Favored Glycine 0 N--CA 1.428 -1.885 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -97.47 14.38 26.6 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.772 0.796 . . . . 0.0 110.116 174.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -121.33 125.97 26.71 Favored Pre-proline 0 N--CA 1.405 -2.704 0 O-C-N 120.815 -1.178 . . . . 0.0 109.893 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.57 127.07 16.52 Favored 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 121.891 1.727 . . . . 0.0 109.67 171.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.84 145.87 48.72 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -114.85 140.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.99 128.41 33.23 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 123.653 0.596 . . . . 0.0 112.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.75 132.06 21.21 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -64.77 136.96 51.64 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.848 1.699 . . . . 0.0 110.998 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -63.77 -26.82 68.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -60.53 -37.13 80.21 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.264 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -33.99 48.17 Favored 'General case' 0 CA--C 1.482 -1.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.529 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.7 mmm -54.09 -50.96 65.64 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.413 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.63 -33.02 73.29 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.134 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -28.11 69.28 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.16 6.34 16.26 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.989 0.899 . . . . 0.0 110.058 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 66.9 t30 47.57 62.37 2.48 Favored 'General case' 0 C--O 1.25 1.111 0 C-N-CA 126.902 2.081 . . . . 0.0 113.799 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.97 156.19 28.94 Favored 'General case' 0 N--CA 1.392 -3.345 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 172.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -125.84 -179.43 4.67 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.52 138.96 21.42 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-O 120.875 0.369 . . . . 0.0 110.224 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 71.07 25.73 3.63 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 126.287 1.835 . . . . 0.0 111.687 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -92.76 144.38 25.35 Favored 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.3 tt0 -87.27 135.31 33.36 Favored 'General case' 0 C--N 1.281 -2.407 0 O-C-N 123.646 0.591 . . . . 0.0 111.428 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.527 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -135.16 155.57 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.201 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -96.3 131.66 42.58 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.755 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.31 127.44 71.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -137.57 150.53 47.54 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.29 119.07 36.32 Favored 'General case' 1 N--CA 1.375 -4.22 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 175.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -143.06 128.69 16.41 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.733 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.471 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 58.77 22.67 10.33 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 122.261 1.029 . . . . 0.0 112.016 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.43 61.39 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.579 -0.82 . . . . 0.0 113.452 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 161.91 35.88 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 122.526 -0.396 . . . . 0.0 109.966 177.05 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -92.92 119.4 32.18 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-O 122.145 0.974 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -98.06 119.13 45.67 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.45 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.551 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.6 mm -109.33 106.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.909 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 33.1 tt0 -125.34 115.08 25.6 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 7.9 Cg_endo -57.66 150.95 58.25 Favored 'Trans proline' 0 N--CA 1.433 -2.081 0 C-N-CA 123.764 2.976 . . . . 0.0 111.739 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' B' ' 33' ' ' VAL . 22.8 t . . . . . 0 C--N 1.266 -3.049 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.3 mt . . . . . 0 N--CA 1.442 -0.857 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -137.94 122.56 18.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 122.141 0.972 . . . . 0.0 110.886 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.8 m -132.34 -160.13 1.02 Allowed 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.264 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.563 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 12.7 p -150.57 155.34 39.24 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 118.042 0.383 . . . . 0.0 110.551 -178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -82.52 122.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -111.3 166.91 10.7 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.62 119.88 39.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.578 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -105.54 93.05 4.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.62 -112.72 3.61 Favored Glycine 0 N--CA 1.431 -1.696 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -108.54 16.82 22.66 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -135.37 138.31 28.48 Favored Pre-proline 0 N--CA 1.417 -2.076 0 O-C-N 120.744 -1.223 . . . . 0.0 111.144 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -66.8 125.59 13.98 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 123.316 2.678 . . . . 0.0 111.482 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.64 142.26 45.16 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.196 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.01 139.4 35.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -80.69 126.09 30.85 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 123.665 0.603 . . . . 0.0 109.801 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -97.81 129.81 30.41 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 132.93 43.8 Favored 'Trans proline' 0 C--O 1.258 1.496 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.41 -29.51 66.14 Favored 'General case' 0 C--O 1.213 -0.863 0 C-N-CA 123.38 0.672 . . . . 0.0 111.006 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -54.26 -40.43 67.78 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 123.561 0.744 . . . . 0.0 111.428 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HG ' HD21 ' B' ' 42' ' ' LEU . 3.8 mm? -78.89 -35.14 44.08 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.819 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 83.2 mmm -52.26 -45.79 65.53 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.427 -1.261 . . . . 0.0 109.075 173.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 46.8 mt-30 -80.83 -19.25 45.05 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.581 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -40.16 48.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.046 0.927 . . . . 0.0 109.484 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.5 -19.16 20.78 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.272 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 70.08 69.59 0.22 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 113.593 -1.64 . . . . 0.0 112.034 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -126.69 174.1 8.99 Favored 'General case' 0 N--CA 1.408 -2.57 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.81 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -142.54 -169.9 3.08 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.96 140.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-O 121.183 0.516 . . . . 0.0 112.146 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 t70 74.04 20.51 2.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.69 1.996 . . . . 0.0 110.154 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.29 134.25 34.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -70.27 139.73 52.2 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.3 -176.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.437 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.4 m -133.56 151.09 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 CA-C-O 121.198 0.523 . . . . 0.0 110.789 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HG3' HG22 ' A' ' 47' ' ' VAL . 8.9 mtmp? -95.09 133.85 38.44 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.903 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.2 mp -110.4 103.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.653 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 28.1 m-20 -97.43 124.92 41.79 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -99.32 131.26 45.47 Favored 'General case' 0 N--CA 1.38 -3.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -172.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -145.02 110.09 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.873 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 64.19 22.17 12.77 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 123.42 0.688 . . . . 0.0 112.462 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 -0.51 89.15 Favored Glycine 0 C--N 1.3 -1.45 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.145 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -87.73 133.37 33.86 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.536 HD21 ' HG ' ' B' ' 21' ' ' LEU . 23.1 mt -91.47 114.98 27.65 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 121.881 0.848 . . . . 0.0 111.813 -176.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.7 mp -99.65 121.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.171 176.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -107.5 114.54 46.53 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.032 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.178 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 41.8 tt0 -136.36 110.83 9.81 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.509 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 6.2 Cg_endo -48.32 157.71 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.771 2.981 . . . . 0.0 113.306 171.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.6 t . . . . . 0 C--N 1.268 -2.969 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.15 138.08 46.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.436 0.636 . . . . 0.0 109.997 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.5 m -146.36 -159.28 1.0 Allowed 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.593 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.1 p -150.86 153.73 35.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 118.322 0.51 . . . . 0.0 110.903 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.46 123.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.593 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.7 mmtt -112.55 167.83 10.15 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -102.73 116.56 32.83 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.81 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -103.52 94.14 5.32 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -115.15 4.11 Favored Glycine 0 N--CA 1.423 -2.172 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.02 22.63 14.63 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.163 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -139.04 139.3 22.97 Favored Pre-proline 0 N--CA 1.417 -2.105 0 O-C-N 120.984 -1.072 . . . . 0.0 110.475 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.77 126.9 16.08 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 123.382 2.722 . . . . 0.0 111.665 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.71 140.66 46.14 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.23 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.17 138.34 38.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -80.93 125.94 30.76 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 123.584 0.553 . . . . 0.0 110.026 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -95.22 132.05 28.7 Favored Pre-proline 0 C--N 1.305 -1.329 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.36 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.45 129.23 27.34 Favored 'Trans proline' 0 C--O 1.256 1.388 0 C-N-CA 122.668 2.245 . . . . 0.0 111.39 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -59.58 -25.28 64.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.24 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -58.25 -37.68 75.39 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.952 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.536 ' HG ' HD21 ' A' ' 42' ' ' LEU . 3.8 mm? -80.59 -35.56 34.01 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 120.998 0.428 . . . . 0.0 110.529 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.4 mmm -51.63 -47.12 63.8 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.975 173.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.75 -24.49 52.98 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.981 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.9 62.14 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-O 122.052 0.93 . . . . 0.0 110.006 -171.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.59 -25.17 19.32 Favored 'General case' 0 C--N 1.284 -2.27 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.377 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 76.53 69.86 0.07 Allowed 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.478 -1.692 . . . . 0.0 112.18 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.6 178.22 5.54 Favored 'General case' 0 N--CA 1.402 -2.836 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.617 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -142.85 -172.12 3.59 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 123.246 0.618 . . . . 0.0 109.465 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 28.4 mm -72.13 138.75 20.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.904 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 74.58 25.88 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 126.197 1.799 . . . . 0.0 109.674 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -94.91 135.2 36.71 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.48 138.04 48.67 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.267 1.027 . . . . 0.0 111.613 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -133.87 149.0 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-O 120.983 0.421 . . . . 0.0 109.905 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' B' ' 47' ' ' VAL . 9.4 mtmp? -93.44 135.24 34.87 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.32 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.0 mp -109.42 105.19 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.221 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 173.02 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.616 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 12.7 m-20 -97.89 128.8 44.72 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -102.29 131.77 48.66 Favored 'General case' 0 N--CA 1.383 -3.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -172.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -145.91 110.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.903 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 62.87 21.47 12.85 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.578 1.151 . . . . 0.0 112.859 176.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.36 -0.47 85.47 Favored Glycine 0 C--N 1.305 -1.157 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.59 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -87.72 132.63 34.06 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.475 HD21 ' HG ' ' A' ' 21' ' ' LEU . 54.7 mt -90.57 113.08 25.01 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.854 0.835 . . . . 0.0 112.266 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.7 mp -98.01 120.56 47.5 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.371 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.9 mm -107.9 116.31 51.02 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-N 114.087 -1.415 . . . . 0.0 109.16 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.48 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.2 tt0 -139.51 110.67 7.53 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.675 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.48 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.7 Cg_endo -47.75 156.97 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.117 3.212 . . . . 0.0 113.6 172.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' B' ' 33' ' ' VAL . 21.8 t . . . . . 0 C--N 1.272 -2.795 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.0 mt . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -103.57 100.72 10.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.408 1.099 . . . . 0.0 110.37 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -112.6 -165.12 0.96 Allowed 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -148.03 157.2 43.39 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -176.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.5 t -86.32 126.9 40.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -114.96 168.89 9.51 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -103.75 118.44 36.71 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.128 0.49 . . . . 0.0 111.412 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -104.69 96.32 6.5 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.1 -122.38 6.16 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 107.603 -2.199 . . . . 0.0 107.603 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.29 26.25 10.85 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.826 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -132.83 134.78 24.97 Favored Pre-proline 0 N--CA 1.427 -1.623 0 O-C-N 121.65 -0.656 . . . . 0.0 110.385 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -65.43 126.68 16.65 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 123.137 2.558 . . . . 0.0 111.787 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.04 144.66 50.18 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 p -121.35 139.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -80.57 126.94 31.87 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.872 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -87.7 127.58 57.68 Favored Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.89 132.82 49.82 Favored 'Trans proline' 0 C--O 1.252 1.179 0 C-N-CA 121.799 1.666 . . . . 0.0 111.11 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.92 68.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.382 0.61 . . . . 0.0 109.664 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -59.2 -39.72 83.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.021 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.12 -37.69 33.08 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-O 120.796 0.332 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -48.85 -49.48 39.17 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.083 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.92 -18.79 45.94 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.834 -1.076 . . . . 0.0 113.056 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -34.51 65.65 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.881 0.848 . . . . 0.0 109.638 -174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 2.4 mm? -96.52 -27.08 15.03 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.872 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 70.53 68.88 0.2 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.749 1.619 . . . . 0.0 109.674 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.24 167.09 11.84 Favored 'General case' 0 N--CA 1.415 -2.2 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -129.37 -172.85 2.85 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -75.97 143.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.07 28.3 2.53 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 124.423 1.089 . . . . 0.0 110.812 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.52 132.15 44.18 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.48 139.23 57.02 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 124.377 1.071 . . . . 0.0 110.67 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.503 ' HA ' HG23 ' A' ' 47' ' ' VAL . 5.1 m -131.83 149.6 32.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 CA-C-O 120.764 0.316 . . . . 0.0 110.405 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -94.42 126.91 39.99 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.94 106.55 18.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.61 138.3 53.43 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.62 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.13 126.86 35.34 Favored 'General case' 0 N--CA 1.398 -3.064 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.73 123.87 4.83 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.527 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.749 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 60.37 20.74 10.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.8 1.24 . . . . 0.0 111.76 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.7 -2.17 79.73 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.625 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 156.86 19.88 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 117.899 0.849 . . . . 0.0 109.274 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.1 mt -90.99 117.6 29.71 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-O 122.121 0.962 . . . . 0.0 109.051 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -87.53 100.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 CA-C-N 113.233 -1.803 . . . . 0.0 106.911 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.477 HD12 HD12 ' B' ' 44' ' ' ILE . 60.4 mt -111.56 104.76 17.57 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.316 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.104 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 39.4 tt0 -120.5 108.43 37.61 Favored Pre-proline 0 C--N 1.282 -2.346 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.735 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 11.4 Cg_endo -54.69 150.58 35.44 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 121.968 1.779 . . . . 0.0 110.235 169.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 33' ' ' VAL . 10.6 t . . . . . 0 C--N 1.254 -3.549 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.213 -173.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.431 -1.402 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -97.27 104.37 16.38 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 122.434 1.111 . . . . 0.0 110.548 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.4 m -114.06 -164.78 0.95 Allowed 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.894 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -150.48 156.71 41.97 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -85.53 124.85 40.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -110.88 172.0 7.13 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -108.06 115.35 29.97 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -102.11 94.83 5.96 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.84 5.3 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -111.46 28.06 9.09 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.4 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.3 m -136.73 136.14 21.23 Favored Pre-proline 0 N--CA 1.417 -2.098 0 O-C-N 121.626 -0.672 . . . . 0.0 110.292 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.83 126.43 15.95 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 123.067 2.511 . . . . 0.0 111.513 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 143.83 50.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.734 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -121.87 138.15 53.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -81.74 123.25 28.59 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.622 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -84.06 128.25 63.46 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.31 133.85 55.13 Favored 'Trans proline' 0 C--O 1.251 1.126 0 C-N-CA 121.872 1.715 . . . . 0.0 111.392 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -27.85 68.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.393 0.616 . . . . 0.0 109.613 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -59.78 -38.91 83.2 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.395 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.77 -37.92 26.44 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.044 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.1 mmm -49.42 -49.33 45.45 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.372 1.045 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -82.09 -18.2 43.86 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.854 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.03 73.72 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 122.083 0.944 . . . . 0.0 109.117 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.412 ' HB2' HD23 ' B' ' 27' ' ' LEU . 2.2 mm? -95.12 -25.46 16.42 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.061 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 67.93 70.54 0.33 Allowed 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 125.547 1.539 . . . . 0.0 109.544 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -118.87 169.02 10.22 Favored 'General case' 0 N--CA 1.411 -2.415 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.08 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -130.51 -175.68 3.73 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.35 145.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.45 27.65 3.03 Favored 'General case' 0 CA--C 1.49 -1.347 0 C-N-CA 124.232 1.013 . . . . 0.0 111.267 -177.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -100.27 136.39 40.23 Favored 'General case' 0 N--CA 1.423 -1.794 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.73 138.72 50.78 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 124.17 0.988 . . . . 0.0 110.896 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.464 ' HA ' HG23 ' B' ' 47' ' ' VAL . 4.6 m -131.23 149.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -92.86 128.73 38.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.541 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.76 105.96 17.31 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -127.6 136.75 52.09 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.99 128.28 35.08 Favored 'General case' 0 N--CA 1.397 -3.084 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -146.41 123.47 3.74 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.906 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 57.02 29.4 16.38 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.947 0.899 . . . . 0.0 112.156 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.42 -3.77 86.74 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.121 -0.561 . . . . 0.0 114.205 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 154.61 25.19 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 117.917 0.858 . . . . 0.0 109.378 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.79 116.76 26.16 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-O 121.856 0.836 . . . . 0.0 108.929 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mm -86.23 100.98 9.95 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.067 0 CA-C-N 113.608 -1.633 . . . . 0.0 106.853 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 44' ' ' ILE . 62.9 mt -111.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.942 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 36.4 tt0 -125.64 109.42 25.77 Favored Pre-proline 0 C--N 1.275 -2.67 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.659 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 10.5 Cg_endo -53.52 150.52 27.13 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 C-N-CA 122.186 1.924 . . . . 0.0 110.65 170.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.464 HG23 ' HA ' ' B' ' 33' ' ' VAL . 12.5 t . . . . . 0 C--N 1.259 -3.362 0 CA-C-N 115.432 -0.803 . . . . 0.0 108.876 -174.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.436 -1.139 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' B' ' 33' ' ' VAL . 12.7 m-70 -90.81 119.54 31.11 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.297 0.57 . . . . 0.0 111.871 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.455 ' OG ' HG22 ' B' ' 33' ' ' VAL . 97.0 p -110.18 -143.66 0.39 Allowed 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' B' ' 32' ' ' GLU . 26.2 t -160.91 137.94 8.93 Favored 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 15' ' ' VAL . 88.0 t -80.16 115.73 23.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 174.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -110.85 176.34 5.07 Favored 'General case' 0 N--CA 1.413 -2.281 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.94 115.62 30.12 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.786 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -105.56 96.08 6.26 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.86 -122.47 5.86 Favored Glycine 0 N--CA 1.431 -1.643 0 N-CA-C 107.173 -2.371 . . . . 0.0 107.173 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -110.72 26.99 10.1 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 117.395 0.597 . . . . 0.0 110.136 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 m -129.24 131.84 23.92 Favored Pre-proline 0 N--CA 1.417 -2.092 0 O-C-N 121.787 -0.571 . . . . 0.0 109.876 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.519 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.8 Cg_endo -64.79 122.05 9.77 Favored 'Trans proline' 0 C--N 1.317 -1.109 0 C-N-CA 122.499 2.133 . . . . 0.0 110.908 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.42 132.82 50.03 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.814 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 6' ' ' VAL . 88.4 t -104.19 137.75 31.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -78.75 116.46 19.11 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 123.768 0.667 . . . . 0.0 109.551 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.2 mp -95.89 139.95 22.07 Favored Pre-proline 0 C--N 1.305 -1.369 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -69.09 121.63 8.47 Favored 'Trans proline' 0 C--O 1.255 1.357 0 C-N-CA 121.345 1.364 . . . . 0.0 110.117 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.44 -24.3 67.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.25 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -55.09 -28.48 52.76 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.597 1.159 . . . . 0.0 111.986 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.22 -33.04 26.2 Favored 'General case' 0 CA--C 1.49 -1.346 0 CA-C-O 121.505 0.669 . . . . 0.0 111.019 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtp -61.93 -45.65 92.75 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -68.94 -24.45 64.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.051 -1.431 . . . . 0.0 112.208 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.92 85.42 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.1 -20.72 21.72 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.179 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 75.08 70.0 0.09 Allowed 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.807 1.243 . . . . 0.0 111.019 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 46' ' ' PRO . 4.4 pp -134.7 175.2 9.77 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.56 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -136.44 167.81 20.64 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 122.672 0.389 . . . . 0.0 110.198 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.4 mm -48.88 148.51 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.431 0 O-C-N 124.864 1.353 . . . . 0.0 111.139 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 t70 87.31 10.94 0.14 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.471 1.509 . . . . 0.0 109.969 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' OD1' ' HB ' ' B' ' 6' ' ' VAL . 8.1 p-10 -79.6 -174.4 4.27 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' B' ' 5' ' ' SER . 9.2 pt-20 -131.34 159.47 37.84 Favored 'General case' 0 C--N 1.286 -2.167 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.022 -175.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.578 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.6 m -133.89 145.12 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.929 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.082 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -93.57 104.93 17.02 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.571 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mp -87.3 121.2 37.68 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.37 141.25 48.83 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.65 130.76 45.17 Favored 'General case' 0 N--CA 1.383 -3.79 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.57 107.17 2.24 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.816 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.708 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 29.4 t70 48.99 62.49 2.57 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.48 1.112 . . . . 0.0 113.346 176.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.93 -12.02 9.86 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.358 0.903 . . . . 0.0 115.358 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HD3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -115.48 150.19 36.9 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 118.61 1.205 . . . . 0.0 110.915 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -97.41 126.69 42.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.792 0.806 . . . . 0.0 109.114 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mm -91.82 110.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.229 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -111.77 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.875 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.313 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 34.4 tt0 -118.39 101.47 51.06 Favored Pre-proline 0 C--N 1.298 -1.653 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HB2' HD21 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -55.7 142.73 82.2 Favored 'Trans proline' 0 C--O 1.247 0.974 0 C-N-CA 123.088 2.525 . . . . 0.0 112.676 172.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.257 -3.452 0 CA-C-N 113.238 -1.801 . . . . 0.0 111.193 -176.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.438 -1.045 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 11.8 m170 -90.12 118.19 29.46 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.102 0.477 . . . . 0.0 111.602 -176.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.578 ' OG ' HG22 ' A' ' 33' ' ' VAL . 93.7 p -107.7 -148.95 0.43 Allowed 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 31.4 t -156.48 138.24 14.24 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.425 HG22 HG22 ' B' ' 15' ' ' VAL . 92.3 t -80.24 114.7 21.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -110.58 169.74 8.55 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -101.97 118.84 37.75 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.158 0.504 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -109.49 97.78 7.28 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 -119.54 5.53 Favored Glycine 0 N--CA 1.434 -1.475 0 N-CA-C 108.173 -1.971 . . . . 0.0 108.173 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -111.18 25.27 11.92 Favored 'General case' 0 C--N 1.288 -2.081 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.935 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -129.14 134.71 26.61 Favored Pre-proline 0 N--CA 1.412 -2.342 0 O-C-N 121.641 -0.662 . . . . 0.0 109.818 -175.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 15.1 Cg_endo -66.42 121.27 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.635 2.224 . . . . 0.0 109.869 172.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -126.81 132.14 51.08 Favored 'General case' 0 N--CA 1.412 -2.36 0 CA-C-O 121.259 0.552 . . . . 0.0 109.755 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.425 HG22 HG22 ' B' ' 6' ' ' VAL . 91.5 t -102.58 137.92 28.8 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -79.35 113.26 17.35 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 123.625 0.578 . . . . 0.0 109.742 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.2 mp -93.6 137.6 23.25 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -67.61 121.87 9.0 Favored 'Trans proline' 0 C--O 1.254 1.277 0 C-N-CA 121.415 1.41 . . . . 0.0 110.078 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -24.0 67.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 111.484 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -54.43 -27.75 39.25 Favored 'General case' 0 CA--C 1.575 1.923 0 C-N-CA 124.891 1.277 . . . . 0.0 111.919 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.6 -33.15 23.41 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 121.481 0.658 . . . . 0.0 111.17 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.409 ' O ' ' HG ' ' B' ' 27' ' ' LEU . 78.3 mtp -61.57 -44.46 96.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.9 -26.4 65.08 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.794 -1.548 . . . . 0.0 111.979 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.12 71.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.296 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.48 -15.68 21.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.966 -0.693 . . . . 0.0 109.332 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 71.31 68.87 0.17 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.411 1.084 . . . . 0.0 112.112 -173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' B' ' 46' ' ' PRO . 4.5 pp -134.95 174.97 10.0 Favored 'General case' 0 N--CA 1.409 -2.486 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.821 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -136.71 171.43 14.51 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.042 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.9 mm -52.14 148.21 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.246 0 O-C-N 124.734 1.271 . . . . 0.0 111.422 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t70 88.77 10.72 0.09 Allowed 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 125.865 1.666 . . . . 0.0 110.262 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' HB ' ' A' ' 6' ' ' VAL . 8.5 p-10 -79.8 -174.82 4.57 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 9.2 pt-20 -130.08 158.71 38.89 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.109 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.455 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.4 m -134.71 143.35 37.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.04 -1.064 . . . . 0.0 109.716 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -92.24 103.46 15.92 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.001 0.813 . . . . 0.0 110.344 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.39 118.69 32.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -130.53 139.78 50.49 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 174.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.79 130.38 44.06 Favored 'General case' 0 N--CA 1.388 -3.547 0 N-CA-C 107.346 -1.354 . . . . 0.0 107.346 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.13 106.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.677 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.007 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.561 ' O ' ' HD3' ' B' ' 41' ' ' LYS . 31.3 t70 48.89 62.77 2.42 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.358 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.0 -15.12 8.87 Favored Glycine 0 C--N 1.306 -1.137 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 0.0 OUTLIER -114.87 151.52 33.8 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-N 118.29 1.045 . . . . 0.0 111.375 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.57 126.06 41.48 Favored 'General case' 0 N--CA 1.416 -2.145 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.188 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.31 110.91 23.08 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.366 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.24 104.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.858 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.25 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -119.22 104.66 45.67 Favored Pre-proline 0 C--N 1.289 -2.031 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.721 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.522 ' HB2' HD21 ' B' ' 27' ' ' LEU . 18.4 Cg_endo -55.74 144.54 75.84 Favored 'Trans proline' 0 C--O 1.252 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.679 171.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.256 -3.474 0 CA-C-N 113.443 -1.708 . . . . 0.0 111.472 -178.652 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 61.2 mt . . . . . 0 N--CA 1.434 -1.26 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -95.1 101.35 13.09 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 122.303 1.049 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 m -106.01 -164.01 0.98 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 113.955 -1.475 . . . . 0.0 110.461 -176.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -157.76 171.99 19.31 Favored 'General case' 0 N--CA 1.423 -1.813 0 CA-C-O 120.81 0.338 . . . . 0.0 110.268 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.6 t -115.93 118.14 57.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -113.75 173.41 6.44 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.637 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -102.94 116.56 32.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.552 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -109.12 98.38 7.84 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.98 -129.07 12.44 Favored Glycine 0 N--CA 1.424 -2.103 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -174.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -95.99 13.68 26.18 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-N 117.45 0.625 . . . . 0.0 110.548 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 m -123.43 127.46 25.56 Favored Pre-proline 0 N--CA 1.404 -2.76 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.591 -170.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -61.61 125.25 16.29 Favored 'Trans proline' 0 N--CA 1.44 -1.66 0 C-N-CA 122.0 1.8 . . . . 0.0 109.181 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -123.47 139.72 53.73 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-O 120.931 0.396 . . . . 0.0 110.802 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' B' ' 14' ' ' ALA . 92.4 t -104.63 130.05 56.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -83.05 107.66 15.79 Favored 'General case' 0 N--CA 1.436 -1.133 0 O-C-N 123.63 0.582 . . . . 0.0 110.53 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.5 mm -87.96 126.82 59.94 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -62.96 132.56 37.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 121.601 1.534 . . . . 0.0 110.499 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.09 68.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -57.93 -39.93 79.21 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.083 0.953 . . . . 0.0 110.414 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.98 -33.85 44.7 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.919 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.0 mmm -55.32 -46.55 76.31 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.677 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.21 -36.6 79.78 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.99 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.78 69.21 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.16 0.505 . . . . 0.0 112.204 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 81.0 mt -99.32 -8.36 25.0 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.273 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.4 t30 59.93 66.94 0.92 Allowed 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 125.88 1.672 . . . . 0.0 113.531 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -130.24 171.53 12.79 Favored 'General case' 0 N--CA 1.406 -2.65 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.285 172.744 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -137.78 -175.24 4.02 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.69 139.46 19.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.306 0.574 . . . . 0.0 110.11 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 64.09 50.38 2.47 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 126.367 1.867 . . . . 0.0 109.556 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -110.32 132.83 53.83 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 170.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.4 tt0 -83.37 132.89 34.97 Favored 'General case' 0 N--CA 1.414 -2.261 0 O-C-N 123.56 0.537 . . . . 0.0 110.0 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.0 m -129.78 157.11 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.162 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 38.1 mtmt -93.27 139.15 30.95 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.636 176.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 11.4 mm -115.57 99.33 8.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 171.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -104.54 136.6 43.8 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -94.4 125.95 39.36 Favored 'General case' 0 N--CA 1.388 -3.557 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 45.1 t -148.06 132.3 9.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 57.3 25.03 10.67 Favored 'General case' 0 N--CA 1.499 2.001 0 C-N-CA 123.814 0.846 . . . . 0.0 112.792 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.56 17.68 79.7 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.173 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 12.8 ptpt -129.76 166.25 20.26 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 117.889 0.844 . . . . 0.0 109.412 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt -93.94 116.79 29.27 Favored 'General case' 0 CA--C 1.48 -1.72 0 CA-C-O 121.941 0.877 . . . . 0.0 109.269 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.9 119.97 52.06 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.965 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.65 122.49 69.58 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.978 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.61 149.91 74.87 Favored Pre-proline 0 C--N 1.287 -2.121 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.13 170.02 12.46 Favored 'Trans proline' 0 N--CA 1.409 -3.472 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 33' ' ' VAL . 25.4 t . . . . . 0 C--N 1.27 -2.89 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 61.8 mt . . . . . 0 N--CA 1.434 -1.249 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -86.73 113.08 22.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.864 0.84 . . . . 0.0 108.759 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 57.6 m -118.98 -166.17 1.22 Allowed 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.642 -175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.5 p -156.98 170.87 21.54 Favored 'General case' 0 N--CA 1.417 -2.083 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 90.6 t -115.28 122.95 70.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -118.26 175.11 5.85 Favored 'General case' 0 C--N 1.274 -2.676 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.838 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -103.81 118.57 37.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.923 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -113.2 99.27 7.69 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.71 -129.4 12.01 Favored Glycine 0 N--CA 1.433 -1.532 0 N-CA-C 107.985 -2.046 . . . . 0.0 107.985 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -97.42 14.61 25.72 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.293 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -122.51 128.03 25.6 Favored Pre-proline 0 N--CA 1.404 -2.746 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.69 -171.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.63 124.44 14.61 Favored 'Trans proline' 0 N--CA 1.442 -1.551 0 C-N-CA 122.265 1.977 . . . . 0.0 109.417 171.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -121.67 140.09 52.72 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-O 120.982 0.42 . . . . 0.0 110.841 -176.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 85.7 t -106.47 129.5 59.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.94 113.12 17.86 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 123.754 0.659 . . . . 0.0 109.946 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.94 124.93 54.9 Favored Pre-proline 0 C--N 1.302 -1.48 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.4 129.01 26.59 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.769 1.646 . . . . 0.0 110.488 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.94 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.071 0.549 . . . . 0.0 111.277 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -56.67 -38.53 72.36 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.757 0.823 . . . . 0.0 110.66 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.74 -34.12 40.23 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.082 0.467 . . . . 0.0 110.853 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 83.4 mmm -55.22 -46.77 75.95 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.524 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.4 -38.46 87.54 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.161 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.77 -32.26 70.65 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.653 0.739 . . . . 0.0 112.163 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.444 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 76.0 mt -100.02 -2.5 34.3 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.493 0.663 . . . . 0.0 110.147 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 55.38 66.04 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 125.746 1.618 . . . . 0.0 113.734 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -130.44 164.15 25.4 Favored 'General case' 0 N--CA 1.4 -2.937 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.089 172.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -131.23 -176.21 3.94 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.71 139.43 20.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.278 0.561 . . . . 0.0 110.473 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.8 46.03 3.14 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 126.505 1.922 . . . . 0.0 110.657 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -104.14 130.62 51.88 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -81.33 130.7 35.14 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.504 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.4 m -130.97 153.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 40.1 mtmt -90.75 141.27 28.97 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.963 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 12.1 mm -116.77 98.7 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 171.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.12 135.83 44.87 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.33 125.94 38.19 Favored 'General case' 0 N--CA 1.384 -3.735 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.468 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 32.2 t -146.87 132.98 13.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -177.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 57.07 24.8 10.05 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.041 0.936 . . . . 0.0 112.571 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.65 16.96 78.42 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.792 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 13.5 ptpt -130.06 168.31 16.94 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 117.514 0.657 . . . . 0.0 109.447 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -95.15 115.02 26.88 Favored 'General case' 0 CA--C 1.483 -1.615 0 CA-C-O 121.806 0.812 . . . . 0.0 109.7 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.4 117.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 114.189 -1.369 . . . . 0.0 107.971 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.9 mt -117.23 122.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.728 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.79 151.6 79.11 Favored Pre-proline 0 C--N 1.279 -2.498 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.34 170.32 11.98 Favored 'Trans proline' 0 N--CA 1.406 -3.671 0 N-CA-C 108.87 -1.242 . . . . 0.0 108.87 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' B' ' 33' ' ' VAL . 37.1 t . . . . . 0 C--N 1.267 -2.999 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 78.5 mt . . . . . 0 N--CA 1.443 -0.783 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.9 123.94 48.78 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 m -137.6 -166.3 1.92 Allowed 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.431 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 59.8 p -148.82 151.36 34.63 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 118.205 0.457 . . . . 0.0 110.336 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.63 117.68 21.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 71.6 mmtt -108.93 170.05 8.29 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -100.67 122.56 43.54 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -112.53 95.95 5.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.79 -124.57 8.66 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -101.02 20.43 15.56 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -134.49 137.47 27.84 Favored Pre-proline 0 N--CA 1.417 -2.109 0 O-C-N 121.698 -0.626 . . . . 0.0 110.294 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 23.3 Cg_endo -68.87 129.75 19.13 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.864 2.376 . . . . 0.0 111.091 174.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.61 140.69 49.47 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.86 128.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -74.69 132.81 41.97 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.442 0.464 . . . . 0.0 110.914 178.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mm -98.7 129.92 28.97 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -61.16 131.28 35.91 Favored 'Trans proline' 0 C--O 1.251 1.165 0 C-N-CA 121.918 1.746 . . . . 0.0 111.474 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.72 66.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.111 0.564 . . . . 0.0 110.943 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -57.05 -42.98 81.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.235 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.04 -33.37 57.35 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.305 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.3 mmm -51.31 -53.0 40.17 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.629 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.91 -32.61 71.01 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.337 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.59 71.79 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.646 0.736 . . . . 0.0 110.829 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -92.82 -10.16 37.81 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.714 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 64.22 27.09 13.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.595 1.158 . . . . 0.0 111.362 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.93 178.05 5.89 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.592 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 29.5 p-10 -144.03 -175.95 4.81 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.0 mm -77.77 136.18 24.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 79.92 14.3 0.92 Allowed 'General case' 0 CA--C 1.483 -1.618 0 C-N-CA 125.645 1.578 . . . . 0.0 111.199 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.592 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.8 t70 -76.42 115.83 16.53 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' SER . 27.2 tt0 -75.14 132.44 41.2 Favored 'General case' 0 N--CA 1.405 -2.677 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.0 m -124.97 158.56 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 C-N-CA 120.106 -0.638 . . . . 0.0 112.201 -174.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HG3' HG22 ' A' ' 47' ' ' VAL . 22.3 mtpp -94.45 109.79 21.63 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.198 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.18 98.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 170.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.41 122.59 40.64 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.77 128.51 45.86 Favored 'General case' 0 N--CA 1.389 -3.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.74 108.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.22 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 66.21 21.21 11.1 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.885 0.874 . . . . 0.0 111.496 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' HD21 ' B' ' 25' ' ' LEU . . . 95.57 -14.96 64.1 Favored Glycine 0 C--N 1.303 -1.298 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.311 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -86.08 140.13 30.52 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 7.0 mp -101.12 140.08 35.92 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.388 0.613 . . . . 0.0 110.531 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -118.28 137.4 52.36 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 44.2 mm -113.51 107.57 23.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-O 121.869 0.842 . . . . 0.0 110.023 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -131.91 136.37 28.19 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -85.47 169.99 9.36 Favored 'Trans proline' 0 N--CA 1.407 -3.607 0 CA-C-N 120.251 1.125 . . . . 0.0 109.827 -176.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 34' ' ' LYS . 44.1 t . . . . . 0 C--N 1.274 -2.679 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 80.2 mt . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.58 128.5 53.64 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.259 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 75.4 m -142.55 -166.65 2.32 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.496 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 20.4 p -147.74 151.64 36.42 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.52 115.95 23.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 71.8 mmtt -107.19 172.76 6.65 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -104.28 120.37 41.03 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.123 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -109.03 95.05 5.38 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -124.08 8.69 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -101.7 21.4 14.52 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 117.181 0.491 . . . . 0.0 111.599 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.5 m -139.31 138.39 20.56 Favored Pre-proline 0 N--CA 1.415 -2.195 0 O-C-N 121.48 -0.763 . . . . 0.0 110.751 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.69 132.79 29.75 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 123.179 2.586 . . . . 0.0 111.567 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.1 140.05 47.44 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -110.0 129.96 64.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -76.17 127.88 33.82 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.409 0.443 . . . . 0.0 111.443 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.42 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.3 mm -94.98 127.94 41.02 Favored Pre-proline 0 C--N 1.307 -1.282 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 175.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.75 128.03 22.16 Favored 'Trans proline' 0 C--O 1.251 1.15 0 C-N-CA 121.953 1.768 . . . . 0.0 111.408 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.68 -30.43 43.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.918 0.887 . . . . 0.0 111.794 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.8 m -58.39 -39.57 80.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.769 0.827 . . . . 0.0 110.652 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.24 -33.41 38.01 Favored 'General case' 0 CA--C 1.473 -1.983 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.0 mmm -50.62 -52.62 37.75 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.272 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -67.9 -33.81 75.42 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.531 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.63 66.97 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.325 0.583 . . . . 0.0 111.339 -173.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 40' ' ' GLY . 85.5 mt -93.69 -6.04 47.17 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.596 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 62.58 28.16 16.54 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.369 1.067 . . . . 0.0 111.804 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -97.23 177.62 5.51 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.045 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 27.5 p-10 -142.9 -173.55 3.93 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.3 mm -79.43 139.64 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 175.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 76.57 14.93 2.18 Favored 'General case' 0 CA--C 1.478 -1.811 0 C-N-CA 125.445 1.498 . . . . 0.0 111.283 -173.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 3.6 t70 -76.39 116.48 17.12 Favored 'General case' 0 CA--C 1.478 -1.799 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.95 131.91 39.9 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.83 154.8 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.383 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' B' ' 47' ' ' VAL . 22.4 mtpp -90.26 109.08 20.18 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.926 177.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.3 mp -91.26 100.28 10.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.91 122.55 41.17 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -101.06 126.83 47.77 Favored 'General case' 0 N--CA 1.384 -3.727 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.6 105.83 2.43 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.464 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.554 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 65.99 21.39 11.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.94 0.896 . . . . 0.0 111.806 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -8.49 71.37 Favored Glycine 0 C--N 1.299 -1.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.527 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -92.07 140.8 29.28 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 7.0 mp -101.16 145.34 28.92 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.318 0.58 . . . . 0.0 110.498 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.5 mm -124.14 136.33 60.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 41.3 mm -112.15 107.78 23.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 CA-C-O 121.894 0.854 . . . . 0.0 110.166 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -130.92 133.63 25.01 Favored Pre-proline 0 C--N 1.294 -1.84 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.7 169.32 9.34 Favored 'Trans proline' 0 N--CA 1.401 -3.931 0 C-N-CA 121.099 1.2 . . . . 0.0 109.676 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.441 HG22 ' HG3' ' B' ' 34' ' ' LYS . 43.2 t . . . . . 0 C--N 1.269 -2.909 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 38.6 mm . . . . . 0 N--CA 1.435 -1.199 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -88.13 83.68 6.97 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -174.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -109.1 -167.88 1.27 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.506 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -152.46 148.42 27.4 Favored 'General case' 0 N--CA 1.407 -2.612 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.78 125.39 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.23 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -120.38 164.68 15.99 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -95.21 116.18 28.41 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.197 0.522 . . . . 0.0 111.436 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -105.05 95.04 5.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.46 -120.7 7.75 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.02 30.74 6.09 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 46.6 t -136.08 124.1 15.06 Favored Pre-proline 0 N--CA 1.423 -1.824 0 O-C-N 121.372 -0.83 . . . . 0.0 110.218 -174.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.612 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 18.3 Cg_endo -66.72 122.02 9.34 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.063 1.842 . . . . 0.0 109.899 172.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -122.08 141.65 51.17 Favored 'General case' 0 N--CA 1.422 -1.841 0 CA-C-O 121.117 0.484 . . . . 0.0 111.406 -175.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.11 127.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -79.0 125.17 29.03 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.602 0.564 . . . . 0.0 111.315 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.515 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 48.9 mm -98.3 135.58 21.22 Favored Pre-proline 0 C--N 1.305 -1.364 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.1 133.93 22.28 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.383 1.389 . . . . 0.0 109.618 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.02 67.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.477 0.655 . . . . 0.0 110.96 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -58.77 -41.03 85.62 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 123.681 0.792 . . . . 0.0 109.586 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 4.0 mm? -78.34 -33.35 49.16 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.192 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 82.0 mtp -51.83 -49.13 63.43 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 123.943 0.777 . . . . 0.0 109.688 173.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.8 -35.18 79.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.869 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -34.31 72.22 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.889 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 63.5 mt -94.14 -5.77 46.43 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.134 -178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 66.49 18.59 10.84 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 126.097 1.759 . . . . 0.0 113.029 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.92 166.91 11.94 Favored 'General case' 0 N--CA 1.428 -1.536 0 O-C-N 122.312 -0.242 . . . . 0.0 110.957 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -131.79 -178.38 4.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.935 0.397 . . . . 0.0 111.012 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -76.85 140.46 17.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 172.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t70 71.21 23.34 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.775 1.23 . . . . 0.0 108.964 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -99.36 140.11 34.02 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.36 134.41 35.57 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.191 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.37 150.92 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 33.7 mtmt -96.19 129.13 43.57 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CG2' HD22 ' A' ' 42' ' ' LEU . 2.9 mp -99.71 98.24 6.8 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.628 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 165.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.85 130.9 44.73 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -89.62 130.57 35.9 Favored 'General case' 0 N--CA 1.403 -2.803 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.7 t -147.93 130.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.69 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 59.26 21.67 9.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 124.231 1.012 . . . . 0.0 113.353 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.03 21.33 79.94 Favored Glycine 0 C--N 1.301 -1.41 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.59 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 14.1 pttt -127.27 156.63 41.61 Favored 'General case' 0 C--O 1.249 1.042 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 176.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.429 HD22 ' CG2' ' A' ' 35' ' ' ILE . 45.0 mt -93.14 133.0 36.77 Favored 'General case' 0 CA--C 1.476 -1.874 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.937 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.457 HD12 HD12 ' B' ' 43' ' ' ILE . 32.6 mm -112.41 136.06 49.84 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.275 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.637 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 49.1 mm -107.49 107.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 36.8 tt0 -130.26 124.98 21.6 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.1 Cg_endo -82.62 170.71 12.68 Favored 'Trans proline' 0 N--CA 1.421 -2.786 0 C-N-CA 122.055 1.837 . . . . 0.0 111.373 -173.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.279 -2.482 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.289 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 34.8 mm . . . . . 0 N--CA 1.436 -1.149 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -89.79 83.46 6.21 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -174.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.4 m -106.89 -167.63 1.3 Allowed 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.602 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 147.35 24.58 Favored 'General case' 0 N--CA 1.406 -2.671 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.29 120.51 33.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -116.06 161.35 19.02 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.2 ttm180 -93.48 115.85 28.38 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -103.64 95.01 5.76 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.02 -120.08 7.08 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -105.56 20.59 18.64 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.727 0.775 . . . . 0.0 110.13 173.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -125.75 125.91 24.92 Favored Pre-proline 0 N--CA 1.419 -2.0 0 O-C-N 120.836 -1.165 . . . . 0.0 109.729 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.602 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 17.9 Cg_endo -68.05 124.85 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.148 1.899 . . . . 0.0 109.507 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -124.63 139.96 53.39 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.126 0.488 . . . . 0.0 111.765 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.23 128.67 63.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.2 121.49 26.68 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 123.734 0.646 . . . . 0.0 111.777 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.541 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.0 mm -94.82 134.69 24.6 Favored Pre-proline 0 C--N 1.303 -1.423 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.12 136.4 29.34 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 121.357 1.371 . . . . 0.0 110.037 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.196 0.522 . . . . 0.0 110.56 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -57.7 -43.97 85.52 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.945 0.878 . . . . 0.0 109.31 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 4.0 mm? -76.94 -32.75 57.56 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.612 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 83.1 mtp -52.62 -49.11 65.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 123.83 0.706 . . . . 0.0 109.702 173.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -67.68 -33.04 74.12 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.668 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.85 66.25 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.428 0.633 . . . . 0.0 110.731 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 21' ' ' LEU . 73.1 mt -95.35 -2.24 49.56 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.74 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 64.02 21.71 12.69 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.767 1.227 . . . . 0.0 112.819 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 pp -98.42 173.17 7.09 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 122.084 -0.385 . . . . 0.0 110.356 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -139.91 179.72 6.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.807 0.336 . . . . 0.0 110.965 -174.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -74.57 138.8 20.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 74.04 18.53 3.19 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.043 1.337 . . . . 0.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -93.9 141.93 27.96 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.95 131.67 35.35 Favored 'General case' 0 C--N 1.281 -2.404 0 C-N-CA 123.903 0.881 . . . . 0.0 109.438 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.17 150.18 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.073 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.5 ' HE3' ' HB2' ' B' ' 34' ' ' LYS . 36.3 mtmt -96.08 131.4 42.54 Favored 'General case' 0 N--CA 1.428 -1.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.823 175.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.439 HG22 HD22 ' B' ' 42' ' ' LEU . 3.1 mp -99.42 98.74 7.41 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.531 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 165.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -97.92 136.3 38.41 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -94.24 130.48 40.48 Favored 'General case' 0 N--CA 1.4 -2.948 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.634 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 51.4 t -147.8 127.67 4.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.417 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 61.68 22.12 12.7 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.215 1.006 . . . . 0.0 111.58 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.83 18.65 79.64 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.831 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 21.3 pttt -124.43 157.8 34.3 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.439 HD22 HG22 ' B' ' 35' ' ' ILE . 87.7 mt -91.76 131.96 36.75 Favored 'General case' 0 CA--C 1.477 -1.836 0 CA-C-O 121.692 0.758 . . . . 0.0 110.366 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.457 HD12 HD12 ' A' ' 43' ' ' ILE . 32.8 mm -112.78 136.57 48.65 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.239 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.089 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 49.0 mm -108.16 105.48 18.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 CA-C-O 121.762 0.792 . . . . 0.0 109.528 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 34.9 tt0 -128.28 124.91 23.16 Favored Pre-proline 0 N--CA 1.416 -2.134 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.6 Cg_endo -83.14 170.79 11.93 Favored 'Trans proline' 0 N--CA 1.415 -3.14 0 C-N-CA 121.866 1.711 . . . . 0.0 111.136 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.276 -2.627 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -178.59 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.443 -0.806 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -114.62 108.32 16.67 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.879 0.847 . . . . 0.0 111.26 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 38.5 m -120.1 -161.3 0.87 Allowed 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.918 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -148.39 149.19 31.32 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 118.395 0.543 . . . . 0.0 111.119 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.34 118.96 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.114 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -108.65 171.11 7.61 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -106.96 117.61 34.5 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.583 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -103.86 98.7 8.51 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.98 -120.52 8.7 Favored Glycine 0 N--CA 1.433 -1.523 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -107.6 26.17 10.6 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 117.153 0.476 . . . . 0.0 110.5 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 t -129.13 122.2 21.05 Favored Pre-proline 0 N--CA 1.402 -2.858 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HB2' ' HB ' ' B' ' 17' ' ' ILE . 8.4 Cg_exo -61.31 125.68 17.49 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 121.812 1.674 . . . . 0.0 108.726 170.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.555 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -128.13 136.93 51.83 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.027 0.441 . . . . 0.0 110.46 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.4 t -106.77 129.96 59.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -79.82 120.01 23.49 Favored 'General case' 0 N--CA 1.437 -1.086 0 O-C-N 123.717 0.636 . . . . 0.0 111.646 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' B' ' 13' ' ' PRO . 36.9 mm -97.98 128.01 35.19 Favored Pre-proline 0 C--N 1.301 -1.542 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.98 134.52 50.19 Favored 'Trans proline' 0 C--O 1.249 1.051 0 C-N-CA 121.416 1.411 . . . . 0.0 110.203 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.93 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.358 0.599 . . . . 0.0 110.222 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 m -59.69 -43.42 94.04 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.855 0.862 . . . . 0.0 110.099 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.3 -34.89 63.64 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 120.934 0.397 . . . . 0.0 111.314 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 86.0 mmm -52.39 -53.61 42.68 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.322 173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.71 -36.22 80.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.515 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.7 -28.23 61.63 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.037 -175.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 mt -104.05 5.02 35.0 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.148 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 68.65 23.16 7.24 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.348 1.059 . . . . 0.0 113.655 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.67 154.18 20.8 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-O 121.408 0.623 . . . . 0.0 110.455 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -123.85 -173.65 2.8 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.3 mm -75.68 139.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.249 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 81.55 18.21 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.792 2.037 . . . . 0.0 111.212 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.52 131.95 34.28 Favored 'General case' 0 C--O 1.252 1.216 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' SER . 37.1 tt0 -69.74 136.53 51.06 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 124.135 0.897 . . . . 0.0 110.729 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 2.8 m -133.06 150.01 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 121.474 0.654 . . . . 0.0 110.785 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -95.47 125.15 39.88 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.614 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -102.54 104.64 16.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 172.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 40.3 m-20 -112.99 133.09 55.11 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.16 127.55 35.74 Favored 'General case' 0 N--CA 1.385 -3.703 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -143.4 118.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.074 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.38 22.35 10.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.61 10.94 56.28 Favored Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.255 -0.974 . . . . 0.0 113.21 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.65 160.41 31.7 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -96.76 113.93 25.53 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.391 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.5 mp -95.4 116.09 36.07 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.087 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.62 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.19 105.02 17.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.812 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.218 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 44.4 tt0 -119.67 118.36 32.09 Favored Pre-proline 0 C--N 1.307 -1.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.78 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 5.6 Cg_endo -56.29 148.64 59.82 Favored 'Trans proline' 0 N--CA 1.436 -1.875 0 C-N-CA 124.139 3.226 . . . . 0.0 110.652 173.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--N 1.246 -3.934 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.286 -176.604 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.219 -0.533 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 10.0 p80 -116.47 107.09 14.33 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.101 0.953 . . . . 0.0 111.81 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 53.0 m -115.92 -159.48 0.72 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.243 -1.344 . . . . 0.0 108.824 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.442 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 10.5 p -148.86 148.81 30.32 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -78.01 118.85 25.74 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.223 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.9 mmtt -107.37 172.88 6.58 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -107.77 118.79 37.67 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.437 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -105.86 96.93 6.83 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.56 -122.55 9.49 Favored Glycine 0 N--CA 1.434 -1.463 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -100.71 15.75 27.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 117.343 0.572 . . . . 0.0 111.104 174.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -124.14 126.25 25.61 Favored Pre-proline 0 N--CA 1.404 -2.736 0 O-C-N 121.705 -0.622 . . . . 0.0 109.786 -172.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HB2' ' HB ' ' A' ' 17' ' ' ILE . 9.8 Cg_exo -62.1 129.73 28.2 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.046 1.83 . . . . 0.0 108.786 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.555 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -130.71 138.08 49.83 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -177.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.17 130.84 57.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -78.84 123.24 27.03 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.727 0.642 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 13' ' ' PRO . 42.1 mm -102.44 128.22 28.72 Favored Pre-proline 0 C--N 1.301 -1.531 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -62.73 134.27 46.32 Favored 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 121.275 1.316 . . . . 0.0 110.257 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.71 68.13 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.958 0.503 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.2 m -60.91 -40.48 93.33 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.402 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.95 -35.17 59.78 Favored 'General case' 0 CA--C 1.48 -1.748 0 CA-C-O 120.847 0.356 . . . . 0.0 110.943 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -52.17 -53.05 47.84 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.387 173.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.1 -33.67 76.29 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.396 177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.6 66.21 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.386 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 mt -102.78 9.21 39.17 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.558 -176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 65.78 19.35 11.35 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.38 154.02 19.47 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.493 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -123.14 -178.66 4.03 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -68.38 142.19 16.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.51 23.93 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 126.111 1.764 . . . . 0.0 110.743 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -92.05 131.58 37.22 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 4' ' ' SER . 38.6 tt0 -70.68 134.91 47.94 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 124.234 0.958 . . . . 0.0 110.16 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.56 147.99 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.904 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -92.8 129.52 38.69 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.7 mp -106.46 104.08 16.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.508 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 39.3 m-20 -113.43 128.71 56.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.95 126.28 33.99 Favored 'General case' 0 N--CA 1.392 -3.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -142.4 119.97 7.39 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.71 32.0 18.52 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 12.99 64.9 Favored Glycine 0 C--N 1.307 -1.038 0 C-N-CA 120.84 -0.695 . . . . 0.0 114.171 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.8 159.81 37.43 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.72 113.43 25.07 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.301 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.5 mp -94.74 116.17 35.4 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.177 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.855 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.97 105.53 18.87 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.175 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.461 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 48.8 tt0 -121.92 119.05 29.06 Favored Pre-proline 0 C--N 1.305 -1.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.582 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.1 Cg_endo -55.83 150.72 44.12 Favored 'Trans proline' 0 N--CA 1.436 -1.865 0 C-N-CA 124.118 3.212 . . . . 0.0 110.669 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.252 -3.665 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -177.132 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.434 -1.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -77.2 124.4 27.78 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 122.097 0.951 . . . . 0.0 111.319 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m -144.48 -168.05 2.8 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.246 175.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -150.96 154.53 37.28 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.69 107.87 10.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -105.85 166.21 10.64 Favored 'General case' 0 N--CA 1.412 -2.332 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -98.68 110.82 23.36 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 120.889 0.376 . . . . 0.0 111.336 -177.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -97.43 93.74 6.64 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.94 -118.28 4.93 Favored Glycine 0 N--CA 1.428 -1.879 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -111.11 26.97 10.13 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 116.944 0.372 . . . . 0.0 110.692 174.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -141.46 130.9 12.64 Favored Pre-proline 0 N--CA 1.43 -1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 110.194 -176.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.719 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 17.5 Cg_endo -62.2 131.26 33.65 Favored 'Trans proline' 0 C--O 1.24 0.587 0 C-N-CA 123.074 2.516 . . . . 0.0 112.122 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.36 41.46 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.909 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.98 137.52 43.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -78.67 130.08 35.44 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.834 0.708 . . . . 0.0 111.779 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.613 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -106.85 128.63 25.75 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 174.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.5 142.96 73.88 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.716 1.611 . . . . 0.0 110.815 176.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -63.25 -28.03 69.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.097 0.475 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 m -59.38 -38.5 80.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.399 0.619 . . . . 0.0 110.438 175.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.96 -32.78 59.68 Favored 'General case' 0 CA--C 1.477 -1.854 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.021 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.711 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 84.7 mtp -54.98 -46.84 75.14 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.781 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 47.3 mt-30 -71.43 -25.74 62.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.342 -178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.67 -26.31 59.77 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.37 0.605 . . . . 0.0 110.473 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -110.45 4.45 20.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 58.29 23.7 10.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.702 1.201 . . . . 0.0 112.763 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -99.4 155.82 17.34 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-O 120.884 0.373 . . . . 0.0 110.432 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -124.4 -172.92 2.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.089 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.6 mm -76.43 142.73 13.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 77.9 13.03 1.76 Allowed 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.57 1.148 . . . . 0.0 112.58 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -83.76 125.65 32.12 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 143.7 43.47 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 123.657 0.598 . . . . 0.0 110.286 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.467 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.9 m -136.18 152.9 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.294 0 CA-C-O 121.41 0.624 . . . . 0.0 111.356 -175.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -103.26 119.34 38.68 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 113.91 -1.495 . . . . 0.0 109.97 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.45 97.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.84 128.78 45.14 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.5 124.67 35.18 Favored 'General case' 0 N--CA 1.385 -3.712 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 54.6 t -142.19 119.62 7.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.852 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.292 -174.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 65.51 22.69 11.83 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.402 1.096 . . . . 0.0 110.022 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.34 31.2 63.77 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.053 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG3' ' OE2' ' B' ' 45' ' ' GLU . 22.5 ttmm -128.88 145.01 51.33 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -89.04 115.44 26.59 Favored 'General case' 0 CA--C 1.485 -1.539 0 CA-C-O 121.745 0.783 . . . . 0.0 110.532 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.47 109.24 25.94 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.549 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.209 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.488 HD13 HD13 ' B' ' 44' ' ' ILE . 1.9 mp -101.89 106.86 20.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.788 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.727 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' OE2' ' HG3' ' B' ' 41' ' ' LYS . 26.1 mm-40 -111.98 141.96 25.86 Favored Pre-proline 0 C--N 1.287 -2.134 0 CA-C-N 113.857 -1.519 . . . . 0.0 107.813 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -85.35 169.13 9.89 Favored 'Trans proline' 0 N--CA 1.407 -3.563 0 N-CA-C 107.208 -1.882 . . . . 0.0 107.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 33' ' ' VAL . 18.0 t . . . . . 0 C--N 1.253 -3.621 0 C-N-CA 117.445 -1.702 . . . . 0.0 109.091 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.444 -0.732 0 CA-C-O 120.799 0.333 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -78.19 120.61 23.23 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.173 0.987 . . . . 0.0 112.019 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.6 m -140.13 -165.57 1.93 Allowed 'General case' 0 C--N 1.268 -2.978 0 CA-C-N 114.277 -1.329 . . . . 0.0 107.598 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -152.12 154.46 35.93 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.62 109.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -106.12 167.43 9.81 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' B' ' 10' ' ' GLY . 45.4 ttm180 -102.45 106.81 17.61 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 -176.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -91.77 94.24 9.25 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' B' ' 8' ' ' ARG . . . 75.64 -120.07 5.94 Favored Glycine 0 N--CA 1.425 -2.042 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 -175.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -109.23 24.55 12.94 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.063 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -136.03 129.57 18.12 Favored Pre-proline 0 N--CA 1.427 -1.614 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.711 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 12.1 Cg_endo -62.85 131.25 32.26 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 122.848 2.366 . . . . 0.0 111.691 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.47 144.99 40.31 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.134 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.14 135.77 50.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -76.93 132.31 38.99 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 123.721 0.638 . . . . 0.0 111.595 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.3 mp -106.66 130.24 23.21 Favored Pre-proline 0 C--N 1.297 -1.698 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.32 139.06 53.28 Favored 'Trans proline' 0 C--O 1.249 1.066 0 C-N-CA 121.912 1.741 . . . . 0.0 110.866 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.04 66.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.256 0.551 . . . . 0.0 111.177 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -61.9 -38.4 88.25 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.98 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.65 -32.25 60.12 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.355 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.719 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.9 mtp -54.67 -47.99 72.91 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.093 173.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -70.58 -25.05 62.89 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.44 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.97 64.39 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.35 2.87 26.93 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.486 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 58.54 25.35 13.0 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.849 1.26 . . . . 0.0 113.219 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 pp -101.84 156.51 17.47 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -126.62 -169.91 2.11 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.29 144.77 11.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 75.18 14.31 3.08 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 124.737 1.215 . . . . 0.0 111.86 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -87.13 128.83 35.11 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.8 143.8 39.56 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 123.578 0.549 . . . . 0.0 110.916 -176.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.46 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.6 m -137.39 151.36 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.797 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -101.72 119.37 38.68 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.971 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.32 95.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.35 125.42 41.95 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.386 -3.639 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -140.27 121.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.213 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.043 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 64.27 21.67 12.59 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.11 0.957 . . . . 0.0 110.901 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.85 23.94 70.91 Favored Glycine 0 C--O 1.213 -1.209 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' OE2' ' A' ' 45' ' ' GLU . 22.3 ttmm -124.11 144.58 49.81 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 73.5 mt -86.66 114.18 23.14 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 121.577 0.703 . . . . 0.0 110.791 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -102.35 109.71 27.13 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.604 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.468 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 44' ' ' ILE . 1.7 mp -102.66 106.05 19.27 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.774 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.242 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.467 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 27.3 mm-40 -111.25 142.95 27.43 Favored Pre-proline 0 C--N 1.289 -2.062 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.52 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.1 169.99 9.85 Favored 'Trans proline' 0 N--CA 1.408 -3.543 0 N-CA-C 107.252 -1.865 . . . . 0.0 107.252 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' B' ' 33' ' ' VAL . 21.3 t . . . . . 0 C--N 1.256 -3.495 0 C-N-CA 117.308 -1.757 . . . . 0.0 109.11 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 56.6 mt . . . . . 0 N--CA 1.431 -1.408 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -95.62 95.89 8.66 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.913 0.863 . . . . 0.0 111.487 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -111.34 -164.19 0.9 Allowed 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.451 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.524 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 24.6 p -151.96 156.57 40.31 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.0 t -83.58 116.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -109.62 173.96 6.09 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -106.04 116.29 31.69 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -103.24 97.27 7.37 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.48 -117.27 4.93 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 -176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -114.9 29.41 8.05 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.967 -0.137 . . . . 0.0 111.133 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -137.49 134.47 18.54 Favored Pre-proline 0 N--CA 1.421 -1.905 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 Cg_endo -67.32 129.98 21.53 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.637 2.225 . . . . 0.0 111.228 175.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 140.02 39.33 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -106.15 136.41 40.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -79.57 121.82 25.73 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 123.711 0.632 . . . . 0.0 110.141 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.6 mp -99.85 129.41 28.67 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HG3' HD13 ' A' ' 2' ' ' ILE . 19.3 Cg_endo -66.76 136.65 42.78 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.216 1.944 . . . . 0.0 111.886 178.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.0 -29.97 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.605 0.762 . . . . 0.0 111.228 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -57.54 -35.93 70.95 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 124.154 0.982 . . . . 0.0 111.082 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.49 -32.55 22.17 Favored 'General case' 0 CA--C 1.478 -1.803 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.425 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mmm -53.68 -51.94 61.6 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.306 174.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 81.5 mt-30 -67.0 -34.46 77.8 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.991 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.08 79.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.381 0.61 . . . . 0.0 111.777 -174.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.45 4.85 24.74 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.936 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 50.78 63.02 2.4 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 126.256 1.823 . . . . 0.0 113.164 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 156.03 32.26 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -126.62 -178.77 4.49 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -71.7 142.75 15.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 79.89 10.97 1.25 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.333 1.853 . . . . 0.0 110.837 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.48 128.91 35.55 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.07 146.08 51.2 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 124.048 0.843 . . . . 0.0 111.583 -175.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.5 m -136.46 151.35 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.36 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -95.08 112.44 24.15 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.044 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.13 100.18 10.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.23 136.9 42.98 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.78 140.48 32.1 Favored 'General case' 1 N--CA 1.373 -4.313 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -148.78 116.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 53.18 38.39 27.42 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.134 0.974 . . . . 0.0 112.597 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.5 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.036 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -124.5 148.93 47.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -92.38 105.25 17.48 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.093 0.949 . . . . 0.0 108.556 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.407 HD12 HD12 ' B' ' 43' ' ' ILE . 22.0 mm -100.29 105.86 18.32 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.18 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.269 -176.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.77 108.69 21.78 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 42.8 tt0 -116.42 114.36 40.48 Favored Pre-proline 0 C--N 1.295 -1.8 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.172 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 12.2 Cg_endo -62.11 146.05 96.23 Favored 'Trans proline' 0 N--CA 1.423 -2.623 0 C-N-CA 123.436 2.757 . . . . 0.0 110.326 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.6 t . . . . . 0 C--N 1.259 -3.358 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 35.8 mt . . . . . 0 N--CA 1.435 -1.223 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -94.32 97.39 10.19 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.72 0.771 . . . . 0.0 111.278 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -112.3 -162.54 0.8 Allowed 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.533 -1.212 . . . . 0.0 107.84 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.582 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 11.9 p -153.57 155.64 36.51 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.41 119.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.582 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.4 mmtt -113.46 170.73 8.02 Favored 'General case' 0 C--N 1.278 -2.539 0 C-N-CA 120.031 -0.668 . . . . 0.0 109.326 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -102.47 116.89 33.54 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.059 0.457 . . . . 0.0 111.406 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -106.67 98.58 8.23 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.1 -121.95 7.29 Favored Glycine 0 N--CA 1.428 -1.867 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -111.23 30.63 6.74 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 117.292 0.546 . . . . 0.0 111.413 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -133.87 132.73 21.64 Favored Pre-proline 0 N--CA 1.412 -2.372 0 O-C-N 121.854 -0.529 . . . . 0.0 109.88 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.479 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.5 Cg_endo -66.78 129.25 20.54 Favored 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.447 2.098 . . . . 0.0 110.876 173.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.15 140.2 41.69 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -106.51 136.79 39.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -80.8 120.87 25.23 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.502 0.502 . . . . 0.0 110.431 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.5 mp -98.74 128.91 31.21 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -65.87 137.13 47.98 Favored 'Trans proline' 0 C--O 1.25 1.094 0 C-N-CA 121.985 1.79 . . . . 0.0 111.655 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.83 -29.68 68.42 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.446 0.698 . . . . 0.0 110.907 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.4 m -58.65 -34.19 70.92 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.122 0.969 . . . . 0.0 110.909 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.61 -32.02 20.84 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 121.157 0.503 . . . . 0.0 110.397 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -54.03 -51.06 65.19 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.272 173.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 80.3 mt-30 -67.64 -32.83 73.79 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.044 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.28 80.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.44 0.638 . . . . 0.0 111.97 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.86 4.8 23.89 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.241 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 50.52 60.97 3.47 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 125.647 1.579 . . . . 0.0 113.049 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.19 154.59 33.11 Favored 'General case' 0 N--CA 1.396 -3.138 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -129.2 -175.6 3.61 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.01 138.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 77.5 19.18 1.25 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.971 1.708 . . . . 0.0 110.854 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -90.11 128.56 36.35 Favored 'General case' 0 C--O 1.25 1.104 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.89 146.77 45.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 123.616 0.572 . . . . 0.0 110.778 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.24 150.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.45 113.35 25.6 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.1 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.6 mp -93.74 102.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 171.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.32 138.12 44.11 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.94 139.59 33.55 Favored 'General case' 0 N--CA 1.38 -3.968 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -146.34 112.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.273 -2.761 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 53.9 40.95 32.13 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.045 0.938 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.65 36.76 83.7 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.321 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -128.47 148.62 50.74 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -91.53 103.97 16.52 Favored 'General case' 0 CA--C 1.488 -1.431 0 CA-C-O 121.924 0.868 . . . . 0.0 109.24 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.407 HD12 HD12 ' A' ' 43' ' ' ILE . 20.5 mm -99.91 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.823 0 CA-C-N 114.338 -1.301 . . . . 0.0 108.447 -177.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.77 108.2 20.74 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.6 tt0 -116.19 113.43 41.39 Favored Pre-proline 0 C--N 1.297 -1.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.719 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 12.1 Cg_endo -61.73 149.37 90.26 Favored 'Trans proline' 0 N--CA 1.428 -2.363 0 C-N-CA 123.459 2.772 . . . . 0.0 110.071 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.261 -3.247 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.622 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.7 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -84.48 120.9 26.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.512 ' OG ' HG22 ' B' ' 33' ' ' VAL . 84.5 p -109.96 -153.93 0.53 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.377 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -157.48 133.86 9.72 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.5 t -88.29 119.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.16 167.58 10.7 Favored 'General case' 0 C--N 1.275 -2.645 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -102.24 121.6 42.56 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.372 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -113.52 101.98 9.86 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.49 -120.64 6.56 Favored Glycine 0 N--CA 1.414 -2.804 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -103.06 17.33 24.31 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.641 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 p -137.31 137.11 21.6 Favored Pre-proline 0 N--CA 1.411 -2.423 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.79 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.02 121.3 9.59 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 122.81 2.34 . . . . 0.0 109.882 170.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.7 134.17 48.39 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-O 121.29 0.567 . . . . 0.0 109.612 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.37 139.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -84.0 104.43 14.07 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -88.05 133.04 38.03 Favored Pre-proline 0 C--N 1.308 -1.232 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 126.72 19.99 Favored 'Trans proline' 0 C--O 1.251 1.135 0 C-N-CA 121.941 1.761 . . . . 0.0 110.731 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -60.74 -25.19 66.29 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.272 0.629 . . . . 0.0 110.405 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -55.87 -36.33 67.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.458 1.103 . . . . 0.0 110.789 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.96 -34.49 29.74 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mmm -55.57 -48.29 75.02 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.054 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 96.8 mt-30 -63.56 -37.2 86.41 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.06 175.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.23 -35.11 75.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.489 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 mt -99.04 1.25 45.15 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.403 0.621 . . . . 0.0 111.311 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 67.01 27.36 8.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 173.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.09 160.51 14.26 Favored 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -125.03 179.45 5.03 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.085 -0.385 . . . . 0.0 110.194 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.1 mm -72.78 142.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 79.77 14.59 0.93 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 125.299 1.44 . . . . 0.0 112.101 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' B' ' 5' ' ' SER . 12.5 t0 -91.97 173.21 7.96 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 175.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 4' ' ' SER . 30.3 tt0 -118.78 135.41 54.53 Favored 'General case' 0 C--N 1.271 -2.834 0 C-N-CA 124.017 0.927 . . . . 0.0 109.6 -173.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.544 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.5 m -129.22 157.86 41.95 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 C-N-CA 119.548 -0.861 . . . . 0.0 111.273 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HG3' HG22 ' A' ' 47' ' ' VAL . 9.5 mtmp? -99.64 123.0 43.48 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.506 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.35 112.32 31.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -124.83 126.36 45.47 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -87.99 131.93 34.44 Favored 'General case' 0 N--CA 1.383 -3.808 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.02 108.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.052 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 63.42 26.82 15.05 Favored 'General case' 0 N--CA 1.507 2.388 0 CA-C-O 122.768 1.27 . . . . 0.0 110.876 174.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.48 7.28 82.51 Favored Glycine 0 C--N 1.303 -1.303 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.41 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HD2' ' HG2' ' B' ' 45' ' ' GLU . 11.1 tppt? -102.59 141.72 34.94 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.4 mt -91.5 104.61 17.09 Favored 'General case' 0 CA--C 1.48 -1.713 0 CA-C-O 122.047 0.927 . . . . 0.0 109.168 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -97.9 107.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.856 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.29 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.58 124.95 54.46 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.104 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.819 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' B' ' 41' ' ' LYS . 51.7 mt-10 -130.05 148.49 69.88 Favored Pre-proline 0 C--N 1.293 -1.854 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.72 165.98 6.14 Favored 'Trans proline' 1 N--CA 1.4 -4.022 0 N-CA-C 109.167 -1.128 . . . . 0.0 109.167 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 33' ' ' VAL . 11.2 t . . . . . 0 C--N 1.254 -3.578 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 64.9 mt . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -85.47 121.71 28.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.401 0.619 . . . . 0.0 110.775 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.544 ' OG ' HG22 ' A' ' 33' ' ' VAL . 62.3 p -111.19 -154.8 0.55 Allowed 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.304 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 50.9 m -156.01 134.59 11.69 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 173.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.54 116.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.57 166.62 11.34 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -102.51 124.51 48.19 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.999 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 16.3 t90 -114.79 101.1 8.74 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.79 -121.09 8.43 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 108.633 -1.787 . . . . 0.0 108.633 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -102.39 20.7 16.45 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 56.6 p -140.03 136.22 17.0 Favored Pre-proline 0 N--CA 1.414 -2.226 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.694 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -59.37 123.23 12.95 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.832 2.355 . . . . 0.0 109.783 171.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.81 133.09 46.74 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.686 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.88 138.67 27.44 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.105 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -84.08 106.08 15.44 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -87.8 134.36 35.68 Favored Pre-proline 0 C--N 1.304 -1.395 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.41 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.52 124.03 13.89 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.143 1.895 . . . . 0.0 111.033 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.46 -25.69 64.6 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.654 0.782 . . . . 0.0 110.827 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -56.06 -36.09 67.67 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.47 0.708 . . . . 0.0 110.943 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.21 -34.77 32.02 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.132 0.492 . . . . 0.0 110.972 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.4 mmm -55.13 -48.91 73.0 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.206 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 96.7 mt-30 -61.93 -39.63 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.163 -1.381 . . . . 0.0 110.55 175.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.07 83.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.829 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.3 mt -94.54 -3.41 49.85 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.411 0.624 . . . . 0.0 111.552 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 63.46 54.72 1.9 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 125.03 1.332 . . . . 0.0 113.881 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 158.02 34.73 Favored 'General case' 0 N--CA 1.403 -2.817 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -125.28 -179.25 4.51 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.19 143.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 78.74 15.87 1.12 Allowed 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.398 1.479 . . . . 0.0 111.944 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -94.75 167.07 11.67 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 4' ' ' SER . 38.0 tt0 -110.04 137.17 48.18 Favored 'General case' 0 C--N 1.268 -2.976 0 C-N-CA 123.461 0.704 . . . . 0.0 110.129 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.512 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.7 m -130.51 155.63 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.014 -0.675 . . . . 0.0 110.584 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.405 ' HZ2' ' HB2' ' B' ' 34' ' ' LYS . 9.7 mtmp? -97.1 130.64 44.35 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -104.71 111.31 33.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.98 132.5 56.63 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.005 0.431 . . . . 0.0 110.72 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.82 125.88 39.78 Favored 'General case' 1 N--CA 1.378 -4.04 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 49.9 t -142.05 107.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.179 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 64.68 31.06 12.27 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 122.642 1.211 . . . . 0.0 110.372 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.46 11.1 85.23 Favored Glycine 0 C--N 1.31 -0.9 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.476 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' A' ' 45' ' ' GLU . 11.1 tppt? -106.12 142.18 36.24 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -91.5 105.18 17.56 Favored 'General case' 0 CA--C 1.483 -1.633 0 CA-C-O 121.844 0.83 . . . . 0.0 109.58 175.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 36.7 mm -98.8 106.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.353 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.8 124.19 54.26 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.169 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.867 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' HD2' ' A' ' 41' ' ' LYS . 52.0 mt-10 -128.98 148.05 67.34 Favored Pre-proline 0 C--N 1.294 -1.844 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -87.05 168.59 7.78 Favored 'Trans proline' 1 N--CA 1.4 -4.005 0 N-CA-C 108.8 -1.269 . . . . 0.0 108.8 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.7 t . . . . . 0 C--N 1.257 -3.446 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -86.09 134.65 33.81 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.874 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.4 m -149.54 -164.99 2.16 Favored 'General case' 0 C--N 1.286 -2.188 0 C-N-CA 124.385 1.074 . . . . 0.0 108.236 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.46 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 15.8 p -150.19 160.65 43.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 118.236 0.471 . . . . 0.0 110.201 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.9 t -89.49 123.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 74.9 mmtt -110.99 175.84 5.26 Favored 'General case' 0 C--N 1.271 -2.824 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -107.22 119.64 39.94 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.998 -0.439 . . . . 0.0 109.905 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -114.18 97.96 6.66 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -129.39 17.17 Favored Glycine 0 N--CA 1.425 -2.064 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -96.92 18.16 15.25 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.068 0.461 . . . . 0.0 109.988 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 p -129.08 130.42 23.41 Favored Pre-proline 0 N--CA 1.416 -2.154 0 O-C-N 120.841 -1.162 . . . . 0.0 111.414 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.84 124.69 14.99 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.616 2.211 . . . . 0.0 109.707 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.97 138.06 41.91 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.205 0.526 . . . . 0.0 110.537 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.61 139.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -83.84 104.94 14.35 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 123.44 0.462 . . . . 0.0 109.893 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 mp -87.0 130.55 47.84 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.59 132.56 46.47 Favored 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.341 2.027 . . . . 0.0 111.545 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.488 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 m -56.22 -40.85 74.72 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.294 0.637 . . . . 0.0 110.13 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.16 -36.03 61.56 Favored 'General case' 0 CA--C 1.483 -1.632 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mmm -53.46 -46.55 69.96 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.776 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -71.77 -28.92 63.96 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.608 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -28.34 57.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.055 0.455 . . . . 0.0 111.579 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.7 mt -100.46 -10.37 21.18 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.643 0.735 . . . . 0.0 109.969 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.5 67.49 0.77 Allowed 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.761 1.624 . . . . 0.0 113.294 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.4 pt? -134.42 164.16 28.05 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 114.193 -1.367 . . . . 0.0 107.727 172.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -130.11 -177.13 4.17 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.1 mm -66.34 140.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-O 121.291 0.567 . . . . 0.0 110.581 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t0 73.67 20.02 3.12 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 126.821 2.048 . . . . 0.0 111.299 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -90.14 146.87 23.96 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.68 136.2 33.46 Favored 'General case' 0 C--N 1.267 -3.006 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.355 -172.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.478 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.0 m -130.28 157.96 42.74 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.105 -178.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG3' HG22 ' A' ' 47' ' ' VAL . 40.0 mtmt -102.31 133.97 46.35 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.208 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.35 100.31 10.16 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 169.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -100.83 135.16 42.71 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 HD21 ' B' ' 25' ' ' LEU . 2.5 tm? -99.36 129.52 45.57 Favored 'General case' 0 N--CA 1.388 -3.551 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -144.15 119.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.49 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 58.11 21.12 7.61 Favored 'General case' 0 N--CA 1.508 2.473 0 C-N-CA 124.977 1.311 . . . . 0.0 113.013 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.38 11.75 66.18 Favored Glycine 0 C--N 1.295 -1.738 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.213 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.88 154.35 34.48 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 117.988 0.894 . . . . 0.0 109.212 172.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 29.5 mt -89.02 115.7 26.77 Favored 'General case' 0 CA--C 1.482 -1.663 0 CA-C-O 121.744 0.783 . . . . 0.0 109.516 -178.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.7 mm -103.25 102.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.218 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.096 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 62.9 mt -100.85 104.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.978 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.822 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -111.93 136.17 21.23 Favored Pre-proline 0 C--N 1.278 -2.526 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -79.35 168.12 20.46 Favored 'Trans proline' 0 N--CA 1.413 -3.219 0 C-N-CA 120.774 0.983 . . . . 0.0 109.624 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.4 t . . . . . 0 C--N 1.263 -3.154 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 N--CA 1.43 -1.44 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -85.02 134.37 34.22 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.304 0.573 . . . . 0.0 110.707 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 39.7 m -145.66 -165.46 2.2 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 124.34 1.056 . . . . 0.0 108.808 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.541 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 15.3 p -149.39 153.79 37.91 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-O 120.722 0.296 . . . . 0.0 110.553 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 43.4 t -85.58 122.52 38.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.541 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 75.7 mmtt -110.66 176.38 5.06 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -109.13 119.73 40.4 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.785 -0.572 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -113.37 96.89 6.14 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.94 -129.29 11.66 Favored Glycine 0 N--CA 1.42 -2.383 0 N-CA-C 107.919 -2.072 . . . . 0.0 107.919 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -95.85 11.14 34.77 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-O 120.989 0.423 . . . . 0.0 110.73 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 59.0 p -120.84 130.1 25.01 Favored Pre-proline 0 N--CA 1.418 -2.067 0 O-C-N 120.683 -1.261 . . . . 0.0 111.747 -175.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -60.97 125.7 17.76 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.632 2.222 . . . . 0.0 109.887 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.64 139.42 40.27 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.16 0.505 . . . . 0.0 110.403 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.87 138.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -83.14 105.67 14.31 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.25 131.02 45.62 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -60.53 130.97 35.73 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 122.277 1.985 . . . . 0.0 111.696 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.85 68.02 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.432 0.693 . . . . 0.0 110.932 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -57.8 -39.07 76.67 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.304 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.46 -35.26 53.99 Favored 'General case' 0 CA--C 1.484 -1.562 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 82.4 mmm -54.17 -46.56 72.35 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.82 -35.3 78.38 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.533 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.27 69.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.479 0.656 . . . . 0.0 111.965 -175.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 77.4 mt -93.37 -13.31 28.22 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.952 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 t30 66.05 66.57 0.49 Allowed 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.756 1.623 . . . . 0.0 112.368 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.4 pt? -134.11 165.2 25.62 Favored 'General case' 0 N--CA 1.404 -2.726 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.533 172.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -126.92 -178.71 4.5 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 123.558 0.743 . . . . 0.0 109.262 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.96 142.86 15.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.4 t70 78.56 7.72 2.25 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.583 1.953 . . . . 0.0 111.669 177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -82.77 139.73 33.42 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -79.85 134.82 36.34 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.011 -173.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.466 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.8 m -131.2 154.63 40.94 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 41.1 mtmt -101.04 137.05 39.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 120.871 0.367 . . . . 0.0 110.47 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -104.83 99.55 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.071 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 170.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -100.31 139.7 35.6 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.407 HD13 ' N ' ' B' ' 38' ' ' VAL . 2.1 tm? -102.75 130.16 49.62 Favored 'General case' 0 N--CA 1.383 -3.796 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.407 ' N ' HD13 ' B' ' 37' ' ' LEU . 87.3 t -145.54 119.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.943 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 57.71 21.08 6.97 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 125.424 1.49 . . . . 0.0 113.831 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.71 14.59 65.04 Favored Glycine 0 C--N 1.286 -2.231 0 C-N-CA 119.324 -1.417 . . . . 0.0 113.085 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.79 35.4 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 117.674 0.737 . . . . 0.0 109.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 72.4 mt -88.96 115.93 26.87 Favored 'General case' 0 CA--C 1.478 -1.804 0 CA-C-O 121.834 0.826 . . . . 0.0 110.137 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 24.9 mm -103.34 101.73 12.63 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.24 0 CA-C-N 114.275 -1.33 . . . . 0.0 107.836 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 59.2 mt -100.07 104.64 16.4 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.888 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.823 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 35.9 tt0 -112.72 136.04 21.58 Favored Pre-proline 0 C--N 1.279 -2.462 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.9 Cg_endo -79.18 168.73 20.01 Favored 'Trans proline' 0 N--CA 1.418 -2.961 0 C-N-CA 121.003 1.135 . . . . 0.0 109.496 -176.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.2 t . . . . . 0 C--N 1.262 -3.201 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.649 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.2 mt . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -102.38 137.45 40.61 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 28.8 m -153.77 -165.6 2.17 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -144.4 154.88 43.44 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.95 122.17 32.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -113.78 167.69 10.42 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HE ' HG13 ' B' ' 29' ' ' ILE . 16.4 ttm180 -103.6 116.56 32.58 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -173.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -105.31 97.7 7.51 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.14 -130.09 11.12 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -98.3 17.67 18.19 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 117.289 0.544 . . . . 0.0 111.117 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -128.04 134.84 26.67 Favored Pre-proline 0 N--CA 1.413 -2.308 0 O-C-N 121.459 -0.776 . . . . 0.0 110.702 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.2 Cg_endo -68.21 134.63 32.0 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.111 2.541 . . . . 0.0 112.471 176.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.0 143.5 40.64 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG23 HD13 ' B' ' 17' ' ' ILE . 88.0 t -102.68 131.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -84.92 131.05 34.55 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.443 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.414 HD13 HG23 ' B' ' 15' ' ' VAL . 2.3 mp -112.13 134.8 21.37 Favored Pre-proline 0 C--N 1.301 -1.509 0 C-N-CA 122.997 0.519 . . . . 0.0 109.92 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -68.15 137.98 42.16 Favored 'Trans proline' 0 C--O 1.25 1.112 0 C-N-CA 121.845 1.697 . . . . 0.0 111.35 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.17 -26.2 64.58 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 121.192 0.52 . . . . 0.0 111.035 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -59.44 -39.96 85.26 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 123.54 0.736 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.16 -34.77 56.35 Favored 'General case' 0 CA--C 1.48 -1.724 0 CA-C-O 121.143 0.497 . . . . 0.0 110.744 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 83.2 mmm -55.86 -47.65 76.94 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.684 174.107 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.3 mt-30 -65.94 -34.13 77.41 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.86 174.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.05 71.65 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.589 0.709 . . . . 0.0 111.365 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.8 mt -93.51 -7.24 44.86 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.023 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.48 66.27 0.88 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.821 1.248 . . . . 0.0 112.987 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.2 pt? -135.18 164.51 27.53 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.022 171.022 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.94 -169.87 2.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG13 ' HE ' ' B' ' 8' ' ' ARG . 50.4 mm -71.41 138.55 21.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.295 3.8 m-20 83.27 8.01 0.68 Allowed 'General case' 0 CA--C 1.489 -1.374 0 C-N-CA 126.084 1.754 . . . . 0.0 114.533 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.26 125.05 28.7 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' SER . 35.7 tt0 -67.21 137.06 55.92 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.443 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.62 152.77 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-O 121.245 0.545 . . . . 0.0 110.762 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -95.94 113.03 24.61 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.795 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.95 97.4 6.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.674 -1.972 . . . . 0.0 105.674 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.5 130.87 55.48 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.91 125.4 33.31 Favored 'General case' 0 N--CA 1.394 -3.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -144.87 121.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.971 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 59.72 32.88 21.67 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.511 1.148 . . . . 0.0 111.231 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.38 2.42 87.52 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.043 -0.981 . . . . 0.0 114.147 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.23 164.2 21.5 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 118.216 1.008 . . . . 0.0 111.122 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.46 124.54 37.52 Favored 'General case' 0 CA--C 1.482 -1.664 0 CA-C-O 121.656 0.741 . . . . 0.0 109.29 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.456 HD12 HD12 ' B' ' 43' ' ' ILE . 23.1 mm -103.49 123.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.251 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.977 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -104.03 105.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' HG22 ' A' ' 43' ' ' ILE . 49.3 mt-10 -116.25 147.24 39.03 Favored Pre-proline 0 C--N 1.293 -1.865 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -89.82 164.05 5.05 Favored 'Trans proline' 0 N--CA 1.401 -3.954 0 C-N-CA 120.991 1.127 . . . . 0.0 110.199 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.253 -3.608 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 178.112 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 62.6 mt . . . . . 0 N--CA 1.434 -1.27 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -97.44 136.75 37.43 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 120.995 0.426 . . . . 0.0 110.255 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 64.3 m -153.35 -165.9 2.28 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -147.61 150.12 33.83 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.1 118.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -110.63 167.91 9.86 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ARG . . . . . 0.42 ' HE ' HG13 ' A' ' 29' ' ' ILE . 17.1 ttm180 -102.75 116.68 33.06 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -106.17 95.99 6.16 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.29 -125.53 7.03 Favored Glycine 0 N--CA 1.424 -2.166 0 N-CA-C 108.686 -1.766 . . . . 0.0 108.686 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -109.19 28.65 8.29 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-N 117.259 0.529 . . . . 0.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -141.16 141.39 23.47 Favored Pre-proline 0 N--CA 1.409 -2.478 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.51 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 29.4 Cg_endo -72.89 136.07 24.5 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 123.464 2.776 . . . . 0.0 112.925 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.97 43.22 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.041 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.414 HG23 HD13 ' A' ' 17' ' ' ILE . 78.3 t -101.04 131.59 48.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -85.66 129.31 34.86 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.896 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.412 HD13 HG23 ' A' ' 15' ' ' VAL . 2.2 mp -110.09 136.72 20.44 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 122.861 0.464 . . . . 0.0 109.869 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.13 139.48 39.06 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.032 1.822 . . . . 0.0 111.146 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.34 -24.45 67.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.91 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -57.33 -42.87 82.75 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.606 0.763 . . . . 0.0 110.086 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.22 -33.37 59.24 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.398 0.618 . . . . 0.0 110.964 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.48 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 85.1 mmm -56.72 -47.26 80.36 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.704 174.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -65.05 -37.46 87.64 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.261 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.73 81.21 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 65.3 mt -96.17 -7.44 35.8 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.715 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t30 61.89 65.99 0.86 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.206 1.403 . . . . 0.0 113.252 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -134.56 165.02 26.17 Favored 'General case' 0 N--CA 1.409 -2.508 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.629 172.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.3 -166.3 1.78 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.532 HG13 ' HE ' ' A' ' 8' ' ' ARG . 51.1 mm -74.97 140.44 17.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . 0.286 7.9 m-20 82.76 5.04 0.97 Allowed 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 125.563 1.545 . . . . 0.0 114.218 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.37 122.43 23.75 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' SER . 26.8 tt0 -70.44 136.21 49.34 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.683 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.53 151.55 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.53 0 CA-C-O 121.063 0.458 . . . . 0.0 110.771 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -93.03 115.57 28.23 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.452 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.83 97.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.9 132.38 54.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -175.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.7 125.08 32.92 Favored 'General case' 0 N--CA 1.386 -3.648 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.409 ' HB ' ' CG1' ' B' ' 43' ' ' ILE . 60.9 t -145.9 122.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.271 -176.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 59.9 27.77 17.17 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.603 1.161 . . . . 0.0 111.134 175.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.36 8.4 77.92 Favored Glycine 0 C--N 1.306 -1.104 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.726 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 164.24 23.85 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 117.709 0.754 . . . . 0.0 110.426 175.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -93.52 122.18 35.69 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 121.603 0.715 . . . . 0.0 109.616 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.456 HD12 HD12 ' A' ' 43' ' ' ILE . 28.4 mm -101.79 122.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.28 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.225 -178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.4 105.78 18.71 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -116.98 146.09 37.11 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -87.7 168.52 7.02 Favored 'Trans proline' 0 N--CA 1.402 -3.86 0 C-N-CA 120.968 1.112 . . . . 0.0 109.823 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.258 -3.413 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 177.623 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 N--CA 1.442 -0.875 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -94.55 143.2 26.62 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 m -152.65 -170.18 3.56 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 123.066 0.547 . . . . 0.0 109.78 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.553 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 16.8 p -152.61 154.93 36.35 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-O 120.826 0.346 . . . . 0.0 111.243 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.26 121.7 40.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 72.4 mmtt -116.57 165.79 12.84 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -100.03 117.64 34.74 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.213 0.53 . . . . 0.0 111.719 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -104.75 95.15 5.69 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.44 -116.66 6.27 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -175.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -109.6 27.93 9.07 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.87 0.335 . . . . 0.0 110.903 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -133.77 128.12 19.71 Favored Pre-proline 0 N--CA 1.411 -2.393 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.627 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 29.5 Cg_endo -70.21 125.76 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.05 1.833 . . . . 0.0 109.457 172.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.66 142.92 46.99 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.051 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -112.01 140.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.87 121.14 28.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.11 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -94.85 135.41 23.75 Favored Pre-proline 0 C--N 1.305 -1.357 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -67.61 137.89 43.83 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 121.424 1.416 . . . . 0.0 110.049 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.05 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.158 0.504 . . . . 0.0 111.17 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -56.45 -38.92 72.32 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 123.896 0.878 . . . . 0.0 110.399 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.9 mm? -76.22 -34.78 59.25 Favored 'General case' 0 CA--C 1.474 -1.958 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.167 -178.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.632 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 80.7 mtp -54.01 -48.73 70.15 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.078 174.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.91 -31.98 72.12 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.084 -1.417 . . . . 0.0 110.773 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 -32.42 62.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.19 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD11 ' HG ' ' B' ' 42' ' ' LEU . 66.5 mt -93.57 -16.3 24.54 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.586 -177.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.68 61.15 0.55 Allowed 'General case' 0 C--O 1.242 0.678 0 C-N-CA 126.201 1.8 . . . . 0.0 110.962 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.82 155.87 49.88 Favored 'General case' 0 N--CA 1.409 -2.501 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.893 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -121.78 -175.42 3.09 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.939 0.4 . . . . 0.0 110.895 -176.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.8 mm -69.81 140.96 17.79 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 72.39 22.09 3.55 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 125.707 1.603 . . . . 0.0 109.734 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -94.39 144.47 25.52 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.03 133.37 33.6 Favored 'General case' 0 C--N 1.278 -2.501 0 C-N-CA 123.919 0.888 . . . . 0.0 109.704 -173.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.2 m -126.44 157.66 36.92 Favored 'Isoleucine or valine' 0 C--O 1.247 0.974 0 CA-C-O 120.93 0.395 . . . . 0.0 110.476 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -102.78 122.85 45.33 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.441 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.96 108.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -115.37 142.37 46.79 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -99.97 126.5 46.15 Favored 'General case' 0 N--CA 1.386 -3.632 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 22.0 t -147.89 132.42 10.03 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.16 22.18 13.25 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.504 1.121 . . . . 0.0 110.599 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.25 68.81 Favored Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.676 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' B' ' 44' ' ' ILE . 15.6 pttt -141.08 163.65 32.38 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 117.489 0.645 . . . . 0.0 110.299 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HG ' HD11 ' B' ' 25' ' ' LEU . 55.6 mt -86.61 131.68 34.09 Favored 'General case' 0 CA--C 1.476 -1.868 0 CA-C-O 122.183 0.992 . . . . 0.0 110.396 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.53 HD12 HD12 ' B' ' 43' ' ' ILE . 45.9 mm -117.39 128.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.631 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.186 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 37.9 mm -113.52 104.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-O 121.506 0.67 . . . . 0.0 109.327 -174.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 42.6 tt0 -118.16 132.31 23.79 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 3.7 Cg_exo -76.71 170.27 20.2 Favored 'Trans proline' 0 N--CA 1.427 -2.426 0 C-N-CA 121.072 1.181 . . . . 0.0 111.022 -175.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.8 t . . . . . 0 C--N 1.274 -2.684 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.6 mt . . . . . 0 C--O 1.219 -0.547 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -105.01 138.46 41.18 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -145.88 -165.7 2.27 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.898 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.452 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.4 p -154.66 153.99 32.23 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.997 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.88 118.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.452 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.4 mmtt -113.41 168.39 9.78 Favored 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -101.61 121.39 41.91 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.301 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -108.9 97.95 7.51 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.49 -116.95 5.99 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -113.08 30.42 7.2 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 120.801 0.334 . . . . 0.0 110.121 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -133.71 129.35 20.32 Favored Pre-proline 0 N--CA 1.408 -2.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.632 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 32.5 Cg_endo -71.32 127.07 12.92 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.161 1.908 . . . . 0.0 109.57 172.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -135.67 141.26 44.96 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.924 0.392 . . . . 0.0 110.222 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 p -110.25 139.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -85.01 123.27 30.36 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.005 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.54 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mp -97.45 134.23 22.83 Favored Pre-proline 0 C--N 1.31 -1.123 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -67.32 134.75 34.51 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 121.265 1.31 . . . . 0.0 109.971 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -60.32 -28.27 68.0 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.315 0.579 . . . . 0.0 111.195 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.7 m -59.52 -36.25 75.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.206 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 3.9 mm? -77.49 -35.33 53.75 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.627 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.8 mtp -52.79 -48.29 66.97 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.589 0.709 . . . . 0.0 109.186 173.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 89.3 mt-30 -68.85 -28.69 66.95 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.43 55.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.051 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.479 HD11 ' HG ' ' A' ' 42' ' ' LEU . 73.7 mt -93.7 -21.03 19.6 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.325 0.583 . . . . 0.0 110.025 -178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 t30 70.82 61.01 0.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 126.013 1.725 . . . . 0.0 110.806 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -135.03 157.2 47.55 Favored 'General case' 0 N--CA 1.401 -2.901 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.37 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -125.12 -175.17 3.23 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.522 0.201 . . . . 0.0 110.749 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -72.06 138.55 21.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 74.21 24.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.699 1.6 . . . . 0.0 109.713 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.04 143.21 29.57 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.32 135.43 35.2 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.198 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.434 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.5 m -129.62 155.66 41.49 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -101.3 123.66 45.76 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 mm -101.34 107.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -114.57 144.27 43.66 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -102.7 126.79 49.93 Favored 'General case' 0 N--CA 1.385 -3.702 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 46.8 t -147.93 133.82 11.95 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 61.36 22.12 12.56 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.714 1.205 . . . . 0.0 111.569 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 26.15 65.92 Favored Glycine 0 N--CA 1.437 -1.27 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.614 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 18.2 pttt -141.78 163.19 33.56 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 117.06 0.43 . . . . 0.0 110.179 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.493 ' HG ' HD11 ' A' ' 25' ' ' LEU . 65.9 mt -85.87 129.63 34.78 Favored 'General case' 0 CA--C 1.475 -1.928 0 CA-C-O 121.914 0.864 . . . . 0.0 110.711 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.53 HD12 HD12 ' A' ' 43' ' ' ILE . 40.7 mm -115.02 129.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.493 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 41.6 mm -114.05 104.57 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 43.2 tt0 -118.3 131.25 24.3 Favored Pre-proline 0 C--N 1.286 -2.157 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 3.2 Cg_exo -75.97 169.04 22.94 Favored 'Trans proline' 0 N--CA 1.426 -2.458 0 C-N-CA 121.043 1.162 . . . . 0.0 111.341 -175.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' B' ' 33' ' ' VAL . 25.9 t . . . . . 0 C--N 1.278 -2.523 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.9 mt . . . . . 0 N--CA 1.442 -0.825 0 CA-C-O 120.669 0.271 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -87.41 109.15 19.36 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.197 0.522 . . . . 0.0 111.003 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.473 ' OG ' HG22 ' B' ' 33' ' ' VAL . 91.1 p -107.05 -152.89 0.49 Allowed 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 123.624 0.77 . . . . 0.0 109.482 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m -160.38 131.04 5.48 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.82 110.19 4.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -104.91 167.33 9.78 Favored 'General case' 0 C--N 1.281 -2.413 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -101.15 118.17 36.45 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.304 0.573 . . . . 0.0 110.956 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -105.27 96.1 6.29 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.09 -121.63 7.16 Favored Glycine 0 N--CA 1.435 -1.381 0 N-CA-C 108.24 -1.944 . . . . 0.0 108.24 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -107.87 24.89 12.26 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 117.728 0.764 . . . . 0.0 110.502 173.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -129.05 127.38 23.33 Favored Pre-proline 0 N--CA 1.406 -2.631 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -65.75 132.23 29.99 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.164 1.909 . . . . 0.0 109.499 172.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -132.64 140.81 48.35 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.085 0.469 . . . . 0.0 111.086 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.26 130.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -79.18 129.39 34.41 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 123.425 0.453 . . . . 0.0 111.337 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -102.27 127.83 29.78 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.47 138.58 71.56 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 121.939 1.76 . . . . 0.0 110.772 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.51 -27.43 69.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.144 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 m -59.06 -43.11 91.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.657 0.783 . . . . 0.0 109.925 175.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.24 -36.92 61.25 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.512 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mmm -51.77 -52.66 47.22 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 124.345 1.028 . . . . 0.0 109.479 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -68.84 -31.53 70.57 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.657 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.87 75.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.666 0.745 . . . . 0.0 110.418 -176.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.5 mt -94.58 -4.09 48.48 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.578 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.19 29.96 19.46 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.93 1.292 . . . . 0.0 112.748 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -100.84 155.98 17.62 Favored 'General case' 0 N--CA 1.411 -2.405 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -127.85 -178.2 4.41 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.437 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.63 142.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 79.22 17.49 0.87 Allowed 'General case' 0 CA--C 1.493 -1.247 0 C-N-CA 125.475 1.51 . . . . 0.0 112.292 -177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' B' ' 5' ' ' SER . 17.3 t70 -85.68 123.45 31.09 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' B' ' 4' ' ' SER . 31.8 tt0 -73.38 131.44 41.87 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.268 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.2 m -128.85 155.69 40.96 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.755 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -92.83 121.96 34.73 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.171 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.03 95.24 4.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 103.903 -2.628 . . . . 0.0 103.903 166.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -110.72 136.25 50.08 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 123.383 0.427 . . . . 0.0 110.093 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -93.25 131.45 38.35 Favored 'General case' 0 N--CA 1.385 -3.717 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -151.44 122.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 66.95 21.86 10.23 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.474 1.13 . . . . 0.0 110.909 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.12 11.3 74.85 Favored Glycine 0 C--N 1.317 -0.52 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.534 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HD3' HG23 ' B' ' 43' ' ' ILE . 21.5 ttmm -107.21 146.95 30.75 Favored 'General case' 0 N--CA 1.413 -2.317 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.91 122.36 34.36 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-O 121.894 0.854 . . . . 0.0 109.916 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.409 HG23 ' HD3' ' B' ' 41' ' ' LYS . 42.9 mm -100.94 122.87 53.51 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.056 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.637 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.67 115.21 48.86 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.491 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -134.58 149.41 70.83 Favored Pre-proline 0 C--N 1.287 -2.124 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -83.4 170.43 11.84 Favored 'Trans proline' 0 N--CA 1.41 -3.423 0 C-N-CA 121.568 1.512 . . . . 0.0 108.371 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.8 t . . . . . 0 C--N 1.261 -3.245 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.592 0.235 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -87.83 123.96 33.14 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 76.7 p -121.36 -156.2 0.67 Allowed 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.792 0.837 . . . . 0.0 109.497 -177.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 39.2 m -156.43 133.77 10.7 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.3 110.8 12.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -104.6 169.89 8.2 Favored 'General case' 0 C--N 1.282 -2.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -103.45 114.91 29.56 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 121.153 0.501 . . . . 0.0 111.538 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -102.26 95.45 6.31 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.67 -121.19 8.58 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -104.02 18.67 21.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 117.348 0.574 . . . . 0.0 111.036 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -125.47 125.74 25.07 Favored Pre-proline 0 N--CA 1.416 -2.175 0 O-C-N 121.76 -0.588 . . . . 0.0 109.656 -173.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -63.19 131.15 31.18 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.136 1.891 . . . . 0.0 109.448 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -132.44 140.3 48.36 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-O 120.974 0.416 . . . . 0.0 111.438 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.13 128.12 65.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.44 125.54 29.49 Favored 'General case' 0 C--N 1.315 -0.891 0 O-C-N 123.559 0.537 . . . . 0.0 111.49 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -98.78 127.76 34.52 Favored Pre-proline 0 C--N 1.305 -1.343 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -61.74 137.7 70.01 Favored 'Trans proline' 0 C--O 1.252 1.196 0 C-N-CA 122.16 1.907 . . . . 0.0 110.878 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -26.47 68.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.176 0.512 . . . . 0.0 110.08 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -58.35 -44.27 88.69 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.827 0.851 . . . . 0.0 109.882 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.62 -36.6 60.2 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.648 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mmm -52.09 -50.48 61.52 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.528 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.63 -30.8 68.6 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.454 -1.248 . . . . 0.0 111.759 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -38.67 74.91 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.836 0.827 . . . . 0.0 110.657 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.2 mt -95.73 -1.06 50.69 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.736 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 61.2 21.93 12.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.139 1.376 . . . . 0.0 113.121 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -96.2 153.73 17.64 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -125.74 178.97 5.39 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.39 -177.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.65 139.46 21.05 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 79.61 15.67 0.9 Allowed 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 125.859 1.664 . . . . 0.0 112.808 -176.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -83.07 123.08 29.14 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' SER . 31.3 tt0 -71.29 134.03 46.49 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.699 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.473 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -131.62 151.43 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.699 -179.031 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.75 124.77 34.45 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.55 94.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 103.507 -2.775 . . . . 0.0 103.507 165.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.406 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 37.8 t70 -110.91 130.67 55.51 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.981 -174.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -88.73 130.94 35.23 Favored 'General case' 0 N--CA 1.389 -3.48 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -151.57 127.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 64.26 21.17 12.45 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.44 1.114 . . . . 0.0 110.934 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.88 70.82 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.416 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 43' ' ' ILE . 21.4 ttmm -112.36 148.16 34.85 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.62 122.24 34.01 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-O 121.707 0.765 . . . . 0.0 110.227 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.546 HG23 ' HD3' ' A' ' 41' ' ' LYS . 47.0 mm -102.33 122.58 54.8 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-N 114.13 -1.395 . . . . 0.0 108.647 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.13 115.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.644 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -135.74 146.58 57.75 Favored Pre-proline 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -85.48 161.34 11.03 Favored 'Trans proline' 0 N--CA 1.408 -3.523 0 C-N-CA 121.672 1.582 . . . . 0.0 109.09 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.251 -3.691 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 -179.445 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 104.73 8.31 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.496 ' OG ' HG22 ' B' ' 33' ' ' VAL . 81.5 p -96.74 -156.61 0.54 Allowed 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.697 -175.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 33.5 p -166.29 126.82 1.7 Allowed 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.7 117.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.4 mmtt -105.88 169.44 8.48 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -176.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.57 112.53 25.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.004 0.43 . . . . 0.0 111.756 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -103.27 95.71 6.28 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.88 -115.43 4.12 Favored Glycine 0 N--CA 1.422 -2.244 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -115.17 28.01 8.99 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 173.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.4 m -135.71 134.46 20.8 Favored Pre-proline 0 N--CA 1.417 -2.088 0 O-C-N 122.105 -0.372 . . . . 0.0 110.083 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 18.2 Cg_endo -67.53 126.18 14.45 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.721 2.281 . . . . 0.0 111.347 176.036 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.09 137.43 36.19 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.342 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG12 HD11 ' B' ' 17' ' ' ILE . 11.0 p -110.96 139.54 34.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.47 120.35 25.81 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.74 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 HG12 ' B' ' 15' ' ' VAL . 3.2 mp -92.96 130.04 37.66 Favored Pre-proline 0 C--N 1.297 -1.695 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -60.26 127.42 22.97 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 122.112 1.875 . . . . 0.0 110.782 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.72 -30.66 65.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.106 0.562 . . . . 0.0 111.189 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 m -56.63 -36.08 69.07 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.665 0.786 . . . . 0.0 110.684 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.26 -33.93 28.97 Favored 'General case' 0 CA--C 1.484 -1.574 0 C-N-CA 122.809 0.444 . . . . 0.0 111.002 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.9 -47.8 70.77 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.067 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.39 -35.33 79.09 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.171 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.71 64.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.507 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 69.7 mt -102.51 -9.57 20.09 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.867 0.842 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 t30 60.83 68.59 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.411 1.884 . . . . 0.0 112.89 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -131.32 161.27 32.72 Favored 'General case' 0 N--CA 1.402 -2.837 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.527 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -127.2 -169.33 2.02 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.147 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -77.63 145.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.43 27.04 5.06 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 125.062 1.345 . . . . 0.0 109.098 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 5' ' ' SER . 21.0 t0 -99.3 136.04 39.83 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' B' ' 4' ' ' SER . 38.6 tt0 -86.76 126.0 34.3 Favored 'General case' 0 C--N 1.28 -2.432 0 C-N-CA 124.26 1.024 . . . . 0.0 110.147 -173.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.7 m -126.77 158.86 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.192 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -91.88 121.45 33.5 Favored 'General case' 0 C--N 1.286 -2.171 0 C-N-CA 119.045 -1.062 . . . . 0.0 110.973 174.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.406 HG22 HD22 ' A' ' 42' ' ' LEU . 14.0 mm -89.85 90.26 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 11.7 t70 -103.51 123.39 46.82 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -171.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -86.27 127.06 34.71 Favored 'General case' 0 N--CA 1.387 -3.589 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -143.71 124.97 10.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.052 -1.431 . . . . 0.0 108.671 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 55.64 23.05 5.78 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.253 1.421 . . . . 0.0 112.959 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.34 13.47 68.16 Favored Glycine 0 C--N 1.297 -1.609 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.576 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 158.0 33.68 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 26.0 mt -91.51 120.34 32.24 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-O 121.973 0.892 . . . . 0.0 108.959 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 50.9 mm -101.63 123.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.228 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.635 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.8 mm -107.11 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.734 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.97 133.54 23.92 Favored Pre-proline 0 C--N 1.294 -1.805 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -81.42 165.34 18.61 Favored 'Trans proline' 0 N--CA 1.401 -3.918 0 C-N-CA 120.838 1.025 . . . . 0.0 109.55 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 33' ' ' VAL . 33.5 t . . . . . 0 C--N 1.265 -3.078 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -76.02 107.75 8.45 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' SER . . . . . 0.543 ' OG ' HG22 ' A' ' 33' ' ' VAL . 64.4 p -101.44 -159.18 0.72 Allowed 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.27 -174.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 15.2 p -164.52 125.96 2.18 Favored 'General case' 0 N--CA 1.415 -2.189 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 176.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.64 112.36 16.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -101.28 174.16 6.12 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -107.78 112.47 25.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.092 0.472 . . . . 0.0 111.696 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -104.22 98.7 8.46 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.85 -120.16 5.61 Favored Glycine 0 N--CA 1.425 -2.043 0 N-CA-C 107.402 -2.279 . . . . 0.0 107.402 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -115.25 31.36 6.75 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 117.073 0.436 . . . . 0.0 110.419 172.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -134.05 135.03 23.62 Favored Pre-proline 0 N--CA 1.42 -1.953 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 18.8 Cg_endo -67.13 127.45 16.79 Favored 'Trans proline' 0 C--O 1.246 0.908 0 C-N-CA 122.891 2.394 . . . . 0.0 111.399 175.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.34 137.58 34.21 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.359 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.423 HG12 HD11 ' A' ' 17' ' ' ILE . 11.3 p -109.53 140.78 26.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.75 120.05 25.98 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -93.99 129.28 38.18 Favored Pre-proline 0 C--N 1.305 -1.356 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -59.44 127.94 25.57 Favored 'Trans proline' 0 C--O 1.253 1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 110.927 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.1 63.07 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.27 0.628 . . . . 0.0 111.197 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -58.81 -39.16 80.34 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.547 0.739 . . . . 0.0 110.387 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.38 -32.94 43.22 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.6 mmm -54.23 -48.02 71.54 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.434 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.98 -33.99 72.78 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.589 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.2 75.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.353 0.597 . . . . 0.0 111.75 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 75.3 mt -95.08 -14.95 23.79 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.393 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 66.8 70.17 0.4 Allowed 'General case' 0 C--O 1.254 1.298 0 C-N-CA 125.68 1.592 . . . . 0.0 112.483 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -133.83 160.23 38.24 Favored 'General case' 0 N--CA 1.396 -3.143 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.566 172.662 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -126.67 -171.96 2.53 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -76.74 142.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 71.07 25.49 3.68 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.196 1.798 . . . . 0.0 109.578 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 5' ' ' SER . 9.9 t70 -95.39 132.57 40.3 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.7 tt0 -82.11 127.03 32.71 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.895 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' VAL . . . . . 0.496 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.2 m -129.0 153.87 39.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.794 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -87.41 126.55 34.94 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.011 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.474 HG22 HD22 ' B' ' 42' ' ' LEU . 15.7 mm -93.33 91.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 168.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -104.67 125.03 50.38 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -86.82 125.02 33.68 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-O 122.012 0.911 . . . . 0.0 109.078 -176.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -141.83 123.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.507 0 CA-C-N 114.01 -1.45 . . . . 0.0 108.985 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 57.14 21.62 6.67 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.772 1.229 . . . . 0.0 113.215 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.18 14.54 62.15 Favored Glycine 0 C--N 1.306 -1.112 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -128.1 158.44 38.0 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 173.03 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LEU . . . . . 0.474 HD22 HG22 ' B' ' 35' ' ' ILE . 68.5 mt -90.58 120.82 31.98 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 121.84 0.829 . . . . 0.0 109.31 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 50.9 mm -102.56 126.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.32 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.821 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 46.8 mm -109.31 104.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.965 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.52 131.88 24.31 Favored Pre-proline 0 C--N 1.295 -1.793 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -80.24 164.84 21.66 Favored 'Trans proline' 0 N--CA 1.404 -3.776 0 C-N-CA 120.989 1.126 . . . . 0.0 109.45 -176.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' B' ' 33' ' ' VAL . 36.6 t . . . . . 0 C--N 1.266 -3.06 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 CA--C 1.519 -0.235 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -117.71 141.24 48.62 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -101.25 46.31 0.94 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 120.997 0.427 . . . . 0.0 110.934 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 27.9 m -65.96 -18.14 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.682 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -68.16 -25.49 65.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.925 175.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -98.62 107.47 19.93 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.165 -174.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -111.76 131.71 55.14 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -108.14 105.1 14.68 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.61 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 70.22 156.06 0.15 Allowed 'General case' 0 C--O 1.244 0.783 0 C-N-CA 124.875 1.27 . . . . 0.0 112.744 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -108.75 110.5 21.9 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.493 -0.776 . . . . 0.0 108.996 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 26.7 ttt -87.62 102.1 14.28 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 5.4 p -152.14 101.7 2.73 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.523 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.9 -39.36 94.27 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -79.02 -36.48 41.09 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.755 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.79 -38.26 88.54 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -69.41 114.37 7.58 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -92.16 82.27 5.03 Favored 'General case' 0 N--CA 1.408 -2.552 0 CA-C-O 121.697 0.76 . . . . 0.0 110.088 -170.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -66.84 -131.17 0.03 OUTLIER Glycine 0 C--N 1.291 -1.917 0 CA-C-N 113.237 -1.801 . . . . 0.0 112.276 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.1 mt -104.87 114.64 45.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 O-C-N 121.584 -0.951 . . . . 0.0 110.157 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -85.41 142.56 29.18 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.472 ' OG ' HG22 ' B' ' 33' ' ' VAL . 82.2 p -141.38 -158.83 0.9 Allowed 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 20.9 t -161.31 134.06 6.16 Favored 'General case' 0 N--CA 1.413 -2.278 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.89 116.88 29.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -110.24 176.15 5.16 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.588 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -102.09 110.37 22.31 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.215 0.531 . . . . 0.0 111.174 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -97.91 96.46 8.2 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 -118.43 4.71 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -174.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -114.94 26.23 10.31 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 116.989 0.394 . . . . 0.0 110.354 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.6 m -131.46 141.55 42.15 Favored Pre-proline 0 N--CA 1.418 -2.071 0 O-C-N 121.94 -0.475 . . . . 0.0 110.561 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -68.5 121.04 7.95 Favored 'Trans proline' 0 C--N 1.322 -0.849 0 C-N-CA 123.251 2.634 . . . . 0.0 112.271 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.22 135.91 39.47 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG12 HD11 ' B' ' 17' ' ' ILE . 9.6 p -112.43 153.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 119.64 30.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.463 HD11 HG12 ' B' ' 15' ' ' VAL . 2.7 mp -86.62 129.36 53.16 Favored Pre-proline 0 C--N 1.302 -1.478 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.53 122.6 11.93 Favored 'Trans proline' 0 C--O 1.248 1.011 0 C-N-CA 122.308 2.005 . . . . 0.0 111.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.478 0.711 . . . . 0.0 110.612 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -60.45 -39.29 87.02 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.418 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.39 -30.81 33.52 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 121.988 -0.445 . . . . 0.0 110.972 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.9 mmm -52.75 -50.71 62.94 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.241 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -64.45 -37.61 88.13 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.058 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.83 -34.66 75.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.056 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 ' HG ' ' B' ' 42' ' ' LEU . 95.0 mt -101.23 -3.32 29.22 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.782 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.6 57.13 0.88 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.119 1.367 . . . . 0.0 113.351 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.83 158.72 37.92 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -129.32 -177.35 4.21 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.862 -177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.9 mm -63.95 142.02 17.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.439 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 76.31 12.06 2.73 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.617 1.567 . . . . 0.0 110.609 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' B' ' 5' ' ' SER . 5.5 t0 -85.07 164.98 17.88 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.2 tt0 -111.41 130.84 55.57 Favored 'General case' 0 C--N 1.261 -3.261 0 C-N-CA 123.619 0.767 . . . . 0.0 109.555 -175.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.8 m -121.82 157.91 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.177 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.152 177.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -108.42 116.36 31.82 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.037 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -95.92 118.32 41.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.71 130.87 56.6 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.987 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -90.3 124.62 35.05 Favored 'General case' 0 N--CA 1.382 -3.873 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -139.48 108.26 3.43 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.985 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.361 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 61.46 31.89 18.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.685 0.794 . . . . 0.0 112.322 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.39 17.41 76.13 Favored Glycine 0 C--N 1.308 -1.019 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.194 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -119.58 144.28 47.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 35' ' ' ILE . 64.0 mt -94.74 118.33 31.56 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-O 122.061 0.934 . . . . 0.0 109.531 174.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.3 mm -105.43 123.18 59.58 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.122 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.105 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 49.4 mm -100.72 114.26 39.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.859 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -118.11 137.51 24.6 Favored Pre-proline 0 C--N 1.296 -1.718 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.17 165.06 9.85 Favored 'Trans proline' 0 N--CA 1.401 -3.916 0 CA-C-N 120.499 1.214 . . . . 0.0 109.318 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -100.17 104.28 15.93 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.163 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -76.26 132.62 39.98 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 113.451 -1.704 . . . . 0.0 113.456 -168.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.77 96.14 3.18 Favored 'General case' 0 N--CA 1.402 -2.851 0 CA-C-N 113.433 -1.712 . . . . 0.0 109.578 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.286 -2.195 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 CA--C 1.511 -0.555 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -108.04 145.18 34.35 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -103.97 53.23 0.75 Allowed 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.359 0.6 . . . . 0.0 110.616 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 27.9 m -73.15 -12.07 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.421 0.629 . . . . 0.0 111.177 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -70.77 -27.63 64.07 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.098 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -96.84 104.94 16.98 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.23 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -109.62 118.13 35.75 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -95.59 103.95 15.85 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 122.055 -0.403 . . . . 0.0 111.752 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 69.7 157.71 0.16 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.874 1.27 . . . . 0.0 113.151 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -108.82 101.44 10.55 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.722 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 27.6 ttt -79.95 100.91 8.32 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.801 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 9.5 p -148.95 105.06 3.5 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.471 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -61.88 -43.49 98.73 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.143 -172.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.6 -39.92 26.67 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.91 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.49 -41.03 98.53 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.241 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.06 113.26 3.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -91.88 80.26 5.23 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-O 121.737 0.78 . . . . 0.0 110.317 -168.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -66.75 -126.35 0.02 OUTLIER Glycine 0 C--N 1.289 -2.037 0 CA-C-N 113.642 -1.617 . . . . 0.0 113.166 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.2 mt -107.4 118.51 55.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 O-C-N 121.731 -0.864 . . . . 0.0 109.791 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.08 137.6 32.23 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 33' ' ' VAL . 76.3 p -132.33 -153.97 0.59 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.241 -173.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 17.1 t -166.35 132.8 2.5 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.63 113.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -106.48 176.62 5.11 Favored 'General case' 0 C--N 1.275 -2.667 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.573 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -101.94 113.76 27.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 120.845 0.355 . . . . 0.0 111.167 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -103.68 98.6 8.44 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.9 -119.55 5.26 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 107.325 -2.31 . . . . 0.0 107.325 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -114.98 28.57 8.63 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 117.175 0.488 . . . . 0.0 110.132 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -132.16 140.29 37.59 Favored Pre-proline 0 N--CA 1.418 -2.062 0 O-C-N 121.797 -0.564 . . . . 0.0 110.53 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 19.7 Cg_endo -68.09 120.97 7.94 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.83 134.36 38.8 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.463 HG12 HD11 ' A' ' 17' ' ' ILE . 9.6 p -112.06 152.61 13.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.982 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 123.25 33.23 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.452 HD11 HG12 ' A' ' 15' ' ' VAL . 2.7 mp -88.2 129.76 48.58 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.41 123.69 14.17 Favored 'Trans proline' 0 C--O 1.25 1.084 0 C-N-CA 122.254 1.969 . . . . 0.0 111.578 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -25.24 67.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.665 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -61.62 -39.23 90.54 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.953 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.84 -32.22 31.27 Favored 'General case' 0 CA--C 1.478 -1.807 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 89.8 mmm -51.7 -52.2 50.11 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.481 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -63.73 -37.02 85.79 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.571 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.78 74.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.297 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -101.54 0.95 37.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 67.82 36.96 3.31 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.39 160.02 16.52 Favored 'General case' 0 N--CA 1.418 -2.055 0 O-C-N 122.004 -0.435 . . . . 0.0 110.495 174.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 21.7 p30 -133.36 -176.37 4.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 123.418 0.687 . . . . 0.0 111.494 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.1 mm -65.45 141.67 17.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 t70 74.75 12.0 3.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.205 1.802 . . . . 0.0 110.711 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.0 t0 -83.36 166.75 18.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 4' ' ' SER . 31.8 tt0 -113.5 129.68 56.5 Favored 'General case' 0 C--N 1.255 -3.525 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -174.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.472 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.1 m -122.84 153.51 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.926 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.544 ' HG2' ' OD1' ' B' ' 36' ' ' ASP . 24.5 ttpp -106.27 117.65 34.59 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.321 0.582 . . . . 0.0 109.757 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.445 ' CG2' HD22 ' B' ' 42' ' ' LEU . 4.0 mp -95.4 114.31 31.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.544 ' OD1' ' HG2' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -113.53 129.53 56.54 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.176 -178.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -91.81 125.23 36.44 Favored 'General case' 0 N--CA 1.384 -3.729 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.56 110.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.995 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.493 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.03 29.5 14.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.454 0.702 . . . . 0.0 112.366 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.14 20.96 74.69 Favored Glycine 0 C--N 1.309 -0.921 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -122.98 142.66 50.59 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.445 HD22 ' CG2' ' B' ' 35' ' ' ILE . 53.4 mt -92.32 118.07 30.53 Favored 'General case' 0 CA--C 1.483 -1.62 0 CA-C-O 121.886 0.85 . . . . 0.0 109.834 175.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.04 123.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.058 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.248 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 50.4 mm -99.93 114.55 38.7 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.937 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -118.12 137.17 24.27 Favored Pre-proline 0 C--N 1.293 -1.873 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -87.11 162.07 8.64 Favored 'Trans proline' 1 N--CA 1.397 -4.18 0 CA-C-N 120.697 1.285 . . . . 0.0 109.435 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 t -95.67 107.5 19.7 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.053 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -77.57 133.66 38.43 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.139 -1.391 . . . . 0.0 114.322 -169.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 96.05 3.16 Favored 'General case' 0 N--CA 1.397 -3.096 0 CA-C-N 112.93 -1.941 . . . . 0.0 109.477 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--N 1.292 -1.932 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.227 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -94.39 143.88 26.02 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -79.77 116.32 19.87 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.977 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.26 133.63 24.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.035 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -84.8 95.07 8.86 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 28.6 t60 -147.11 161.98 39.77 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -55.52 -34.4 64.63 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 123.876 0.735 . . . . 0.0 110.929 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -95.92 95.48 8.26 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -126.99 127.79 45.36 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -104.95 113.86 27.71 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -96.93 76.68 2.73 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.972 0.892 . . . . 0.0 112.034 -176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 6.2 m -63.21 -20.4 65.4 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.295 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.22 -14.83 63.28 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.71 0.804 . . . . 0.0 111.424 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -83.54 -24.37 31.65 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.162 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.83 -25.19 32.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.763 0.792 . . . . 0.0 110.728 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -97.26 139.09 33.74 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -111.54 3.88 18.34 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.161 0.505 . . . . 0.0 110.234 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -87.1 150.64 23.0 Favored Glycine 1 N--CA 1.39 -4.372 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -174.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.87 109.72 11.62 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.365 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -71.62 133.82 45.96 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.02 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.9 m -149.64 -168.23 3.05 Favored 'General case' 0 C--N 1.279 -2.479 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.485 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.5 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 67.7 m -150.59 160.47 43.78 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 118.1 0.409 . . . . 0.0 110.652 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.83 130.46 47.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HE3' ' HB2' ' A' ' 5' ' ' SER . 0.6 OUTLIER -127.48 172.52 10.62 Favored 'General case' 0 C--N 1.274 -2.68 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.081 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -107.6 120.86 43.4 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.758 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -102.3 94.82 5.91 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.07 -131.14 13.35 Favored Glycine 0 N--CA 1.427 -1.908 0 N-CA-C 107.571 -2.212 . . . . 0.0 107.571 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -93.34 8.64 39.63 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 117.869 0.834 . . . . 0.0 112.553 173.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -113.57 129.45 24.65 Favored Pre-proline 0 N--CA 1.412 -2.36 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -63.2 130.55 29.12 Favored 'Trans proline' 0 C--N 1.301 -1.945 0 C-N-CA 122.569 2.179 . . . . 0.0 110.161 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.31 138.59 45.08 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-O 121.268 0.556 . . . . 0.0 110.724 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -108.02 137.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -82.76 117.23 22.52 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.264 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.18 134.95 20.47 Favored Pre-proline 0 C--N 1.302 -1.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.949 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.33 125.74 17.64 Favored 'Trans proline' 0 C--O 1.251 1.144 0 C-N-CA 122.55 2.167 . . . . 0.0 111.139 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.74 -27.09 66.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.111 0.482 . . . . 0.0 111.328 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -60.49 -33.86 73.21 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.813 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.88 -33.2 34.51 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-O 121.214 0.53 . . . . 0.0 110.855 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 56.4 mmm -53.92 -51.81 62.56 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.292 172.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 89.5 mt-30 -62.02 -34.31 75.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.843 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.51 68.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.443 0.64 . . . . 0.0 111.243 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -98.1 -1.61 41.96 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.347 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 66.5 17.5 10.66 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.979 1.312 . . . . 0.0 113.093 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 pp -98.69 162.83 12.91 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -138.06 175.55 9.48 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 121.302 0.572 . . . . 0.0 111.7 -171.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 140.67 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 t70 81.2 6.59 1.27 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.753 1.621 . . . . 0.0 111.19 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.99 160.61 14.5 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.34 135.58 39.04 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 123.739 0.816 . . . . 0.0 110.548 -171.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.83 157.08 43.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.635 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' ' 47' ' ' VAL . 22.0 mtpp -93.32 122.71 36.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.474 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.54 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 164.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 9.1 t70 -99.47 135.56 40.7 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.45 123.57 37.94 Favored 'General case' 0 N--CA 1.393 -3.279 0 CA-C-O 121.631 0.729 . . . . 0.0 109.561 -175.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' A' ' 43' ' ' ILE . 40.6 t -141.57 126.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.467 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 59.55 21.6 10.15 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.779 1.232 . . . . 0.0 112.703 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.54 16.52 73.24 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 114.038 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -129.1 166.39 19.39 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 117.91 0.855 . . . . 0.0 110.274 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.83 125.5 33.33 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.933 0.873 . . . . 0.0 109.402 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.586 HG13 ' HB ' ' A' ' 38' ' ' VAL . 44.0 mm -116.62 139.02 45.3 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.468 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.977 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 67.6 mt -113.19 111.09 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 CA-C-O 121.92 0.867 . . . . 0.0 109.86 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 33.0 tt0 -132.33 131.48 22.37 Favored Pre-proline 0 C--N 1.277 -2.568 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -81.73 170.3 14.3 Favored 'Trans proline' 0 N--CA 1.417 -3.003 0 CA-C-N 120.161 1.093 . . . . 0.0 112.701 -171.679 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 34' ' ' LYS . 44.7 t -100.0 117.31 44.99 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 106.263 -1.755 . . . . 0.0 106.263 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.71 130.01 35.34 Favored 'General case' 0 C--N 1.277 -2.544 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -92.71 96.45 10.18 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--N 1.263 -3.162 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 -173.66 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -80.2 138.93 36.93 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -71.46 123.24 21.94 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.121 -177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 14.9 p -62.62 132.75 28.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.229 -175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -85.88 92.21 8.58 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.933 0.873 . . . . 0.0 108.802 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -147.91 163.13 37.76 Favored 'General case' 0 N--CA 1.42 -1.958 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -57.1 -33.8 67.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.32 0.648 . . . . 0.0 110.324 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 61.3 m80 -95.38 101.69 13.44 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -134.55 126.06 28.54 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -174.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -104.84 110.56 22.97 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.163 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -96.05 82.48 3.5 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 122.161 0.981 . . . . 0.0 111.312 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 6.2 m -68.68 -14.53 63.08 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.39 -20.01 64.65 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.635 0.774 . . . . 0.0 110.723 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -75.65 -33.01 60.43 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.847 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.94 -40.03 72.29 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.185 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -87.14 143.9 27.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.031 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -114.6 4.02 15.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.892 0.377 . . . . 0.0 110.369 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -93.47 144.5 17.12 Favored Glycine 0 N--CA 1.398 -3.883 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.38 113.21 4.88 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.807 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -75.28 131.83 40.6 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.401 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.5 m -143.38 -167.65 2.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.692 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.482 ' HB2' ' HE3' ' B' ' 7' ' ' LYS . 68.5 m -151.25 156.89 41.78 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 t -96.1 133.47 37.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.482 ' HE3' ' HB2' ' B' ' 5' ' ' SER . 0.6 OUTLIER -129.65 170.87 13.25 Favored 'General case' 0 C--N 1.279 -2.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 175.276 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -105.92 117.4 33.92 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.616 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -99.01 97.71 8.83 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -126.19 12.73 Favored Glycine 0 N--CA 1.43 -1.726 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -98.49 14.79 27.0 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 29.9 t -121.61 125.37 26.82 Favored Pre-proline 0 N--CA 1.406 -2.642 0 O-C-N 121.693 -0.629 . . . . 0.0 110.335 -174.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -59.84 128.4 26.69 Favored 'Trans proline' 0 C--O 1.246 0.912 0 C-N-CA 122.256 1.971 . . . . 0.0 109.59 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.458 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -133.12 139.13 46.93 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-O 121.134 0.492 . . . . 0.0 110.505 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.69 137.58 39.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.85 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -82.41 118.42 23.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 O-C-N 123.994 0.809 . . . . 0.0 111.261 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.48 134.75 20.07 Favored Pre-proline 0 C--N 1.3 -1.581 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -62.1 125.6 16.8 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 122.229 1.952 . . . . 0.0 110.536 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.87 -28.09 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -58.1 -35.27 71.19 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 124.017 0.927 . . . . 0.0 111.122 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.52 -31.8 47.74 Favored 'General case' 0 CA--C 1.473 -1.991 0 CA-C-O 121.079 0.466 . . . . 0.0 111.16 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' B' ' 22' ' ' MET . 64.8 mtp -57.84 -48.27 80.27 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.762 174.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.76 -35.74 79.0 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.756 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.4 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.601 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.61 -0.92 51.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 61.26 25.29 15.29 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.115 1.366 . . . . 0.0 112.729 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -105.1 159.22 16.01 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -134.73 176.06 8.98 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 121.149 0.499 . . . . 0.0 111.94 -172.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -66.6 141.18 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.23 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.8 t70 82.91 3.16 1.04 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.46 1.904 . . . . 0.0 111.317 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.96 159.0 15.95 Favored 'General case' 0 N--CA 1.42 -1.933 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.734 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -97.0 134.58 40.18 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 124.282 1.033 . . . . 0.0 110.139 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.21 155.7 42.1 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.174 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.52 ' HG3' HG22 ' B' ' 47' ' ' VAL . 22.5 mtpp -91.65 120.72 32.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.03 95.88 5.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 164.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.07 144.08 28.62 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.41 124.47 48.04 Favored 'General case' 0 N--CA 1.384 -3.746 0 CA-C-O 121.373 0.606 . . . . 0.0 109.371 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.504 ' HB ' HG13 ' B' ' 43' ' ' ILE . 39.7 t -142.93 131.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.163 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 58.88 21.84 9.58 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.85 0.86 . . . . 0.0 112.913 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.46 0.63 88.17 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.84 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -118.7 166.32 12.91 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 117.871 0.835 . . . . 0.0 111.395 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 44.9 mt -84.02 125.66 32.3 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 121.775 0.798 . . . . 0.0 109.892 -176.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.504 HG13 ' HB ' ' B' ' 38' ' ' VAL . 43.8 mm -117.88 138.81 47.35 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.266 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.034 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.27 113.68 44.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.822 0.82 . . . . 0.0 109.877 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -134.39 132.51 20.99 Favored Pre-proline 0 C--N 1.278 -2.504 0 N-CA-C 104.276 -2.49 . . . . 0.0 104.276 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -79.79 170.73 16.47 Favored 'Trans proline' 0 N--CA 1.422 -2.704 0 C-N-CA 121.141 1.227 . . . . 0.0 112.37 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.52 HG22 ' HG3' ' B' ' 34' ' ' LYS . 45.3 t -100.35 116.84 44.57 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.37 124.14 27.78 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 121.798 0.808 . . . . 0.0 110.981 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.6 95.96 9.54 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.269 -2.934 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.242 -173.614 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 40.2 t30 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -89.55 143.79 26.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.588 0.708 . . . . 0.0 112.241 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -130.06 90.17 2.92 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 20.0 m -132.93 3.12 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.213 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -169.61 172.08 7.13 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 37.6 m80 71.22 116.01 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.557 1.161 . . . . 0.0 112.092 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -88.27 83.21 6.94 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -105.91 131.81 52.78 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.289 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -129.25 118.75 22.84 Favored 'General case' 0 C--N 1.285 -2.239 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -84.32 165.72 18.03 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 57.7 mtt 77.98 72.12 0.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.878 1.323 . . . . 0.0 111.067 -173.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' SER . . . . . 0.466 ' H ' ' H ' ' A' ' -4' ' ' ASP . 19.3 m -150.54 -21.79 0.23 Allowed 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.227 -1.806 . . . . 0.0 107.171 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -4' ' ' ASP . . . . . 0.466 ' H ' ' H ' ' A' ' -5' ' ' SER . 5.6 p-10 -81.34 -14.68 57.01 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 127.416 2.286 . . . . 0.0 110.41 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -108.58 5.19 24.81 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 124.818 1.247 . . . . 0.0 109.401 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -46.69 -49.81 18.83 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -172.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -77.15 137.15 38.72 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.673 -173.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -135.48 28.07 3.36 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.509 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -63.29 -41.84 99.42 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' B' ' 35' ' ' ILE . 60.0 mt -98.86 92.24 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.766 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 175.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -112.31 137.0 51.06 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.7 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 m -148.3 -161.3 1.31 Allowed 'General case' 0 C--N 1.277 -2.573 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.724 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -154.56 168.72 25.8 Favored 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.44 HG22 ' CG1' ' A' ' 15' ' ' VAL . 45.6 t -95.66 129.71 45.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -117.45 172.46 7.31 Favored 'General case' 0 C--N 1.284 -2.273 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.915 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -99.01 107.15 19.5 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.075 0.464 . . . . 0.0 110.921 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -92.6 93.39 8.49 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.29 -117.69 5.09 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 108.3 -1.92 . . . . 0.0 108.3 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -112.31 28.06 9.1 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.928 0.364 . . . . 0.0 111.393 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -140.35 132.97 14.68 Favored Pre-proline 0 N--CA 1.419 -1.998 0 O-C-N 121.401 -0.812 . . . . 0.0 109.906 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 10.4 Cg_endo -62.44 129.72 27.66 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 122.972 2.448 . . . . 0.0 112.3 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -137.38 140.05 41.15 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG22 HD11 ' B' ' 17' ' ' ILE . 27.5 m -110.61 145.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -89.4 122.03 32.22 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 123.43 0.456 . . . . 0.0 110.578 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 3.2 mp -91.49 125.23 58.58 Favored Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -59.39 131.75 42.51 Favored 'Trans proline' 0 C--O 1.247 0.94 0 C-N-CA 122.349 2.033 . . . . 0.0 111.739 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.39 -29.62 67.84 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.477 0.711 . . . . 0.0 110.668 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -60.06 -37.6 80.34 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.859 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -82.58 -32.27 28.55 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.847 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.3 mmm -52.73 -51.75 59.18 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.489 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.62 -36.73 84.58 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.461 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.87 76.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.502 0.668 . . . . 0.0 111.569 -174.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 HD21 ' B' ' 37' ' ' LEU . 82.8 mt -98.3 1.37 47.05 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.244 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 64.74 30.8 12.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.041 1.336 . . . . 0.0 114.278 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.6 161.92 13.28 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.055 0.455 . . . . 0.0 110.453 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 21.0 p30 -124.67 -179.95 4.72 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.785 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.1 mm -66.3 140.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 175.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.38 25.67 4.37 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.757 2.023 . . . . 0.0 110.192 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 6.0 t70 -85.17 134.77 34.15 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.12 133.93 44.29 Favored 'General case' 0 C--N 1.283 -2.304 0 C-N-CA 124.479 1.112 . . . . 0.0 110.179 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.8 m -133.0 149.09 31.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 121.122 0.487 . . . . 0.0 111.541 -178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -102.86 131.31 49.85 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.193 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.13 117.3 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.23 140.13 52.79 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 HD21 ' B' ' 25' ' ' LEU . 0.6 OUTLIER -94.24 124.73 38.44 Favored 'General case' 1 N--CA 1.379 -4.013 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -178.052 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.06 109.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.484 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.47 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 51.25 61.54 3.18 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.86 0.864 . . . . 0.0 112.243 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.16 -3.01 7.9 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 114.867 -1.06 . . . . 0.0 114.812 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -97.17 141.69 29.99 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 117.436 0.618 . . . . 0.0 110.791 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 16.8 mt -90.98 100.45 13.31 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 166.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.6 mm -83.58 128.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.982 0 CA-C-N 114.181 -1.372 . . . . 0.0 108.498 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.417 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.6 mm -126.92 122.38 60.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.789 0.68 . . . . 0.0 110.175 -171.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 46' ' ' PRO . 9.2 tp10 -130.39 136.12 28.49 Favored Pre-proline 0 C--N 1.293 -1.863 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.4 Cg_endo -84.32 155.07 12.51 Favored 'Trans proline' 0 N--CA 1.405 -3.677 0 C-N-CA 121.737 1.624 . . . . 0.0 109.581 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' A' ' 33' ' ' VAL . 3.8 t -109.69 93.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.245 -3.962 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -175.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.7 ptt-85 -86.59 136.33 33.1 Favored 'General case' 0 C--N 1.272 -2.765 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.571 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -86.81 96.24 10.13 Favored 'General case' 0 N--CA 1.416 -2.132 0 CA-C-O 122.758 1.266 . . . . 0.0 108.153 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 C--N 1.275 -2.656 0 CA-C-N 111.765 -2.471 . . . . 0.0 107.477 -174.066 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 36.1 t30 . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 120.661 0.267 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -87.77 151.91 22.52 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.065 -177.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -141.46 85.62 1.97 Allowed 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 175.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 26.2 m -130.18 6.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.895 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -173.94 173.47 3.22 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 39.2 m80 71.27 114.66 0.05 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.786 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -88.87 77.63 7.72 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.913 0.863 . . . . 0.0 110.405 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -99.23 143.19 29.78 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.316 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -137.4 112.33 8.98 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -74.23 160.04 31.68 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 60.2 mtt 78.81 72.11 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.625 1.202 . . . . 0.0 111.382 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 41.0 m -145.71 -19.48 0.46 Allowed 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.154 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -84.82 -14.21 48.72 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 127.752 2.421 . . . . 0.0 110.772 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -106.04 4.49 29.34 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 125.218 1.407 . . . . 0.0 109.637 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -46.19 -47.06 17.81 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.617 1.567 . . . . 0.0 114.81 -172.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.57 142.22 37.49 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.469 -173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -140.75 29.55 1.9 Allowed 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.664 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -61.98 -37.01 93.7 Favored Glycine 0 C--O 1.236 0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.508 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -106.87 97.94 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.641 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -117.93 132.16 56.44 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.635 0.731 . . . . 0.0 110.296 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 74.3 m -138.28 -161.11 1.13 Allowed 'General case' 0 C--N 1.279 -2.492 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.386 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.6 p -155.59 162.86 40.56 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.431 HG22 ' CG1' ' B' ' 15' ' ' VAL . 44.3 t -92.66 134.97 28.92 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -121.59 174.36 6.85 Favored 'General case' 0 C--N 1.279 -2.484 0 C-N-CA 119.36 -0.936 . . . . 0.0 109.508 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -103.29 106.27 16.75 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.279 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.93 93.52 9.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.12 -115.22 4.57 Favored Glycine 0 N--CA 1.426 -2.025 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -114.79 30.5 7.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.318 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 62.7 m -144.59 133.35 11.06 Favored Pre-proline 0 N--CA 1.43 -1.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.7 Cg_endo -63.78 130.36 27.59 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.036 2.491 . . . . 0.0 111.975 177.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . -137.22 142.34 42.06 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.072 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 17' ' ' ILE . 29.2 m -111.6 146.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -88.1 123.96 33.3 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 123.749 0.656 . . . . 0.0 110.1 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -94.67 124.03 56.19 Favored Pre-proline 0 C--N 1.304 -1.406 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -59.64 132.15 44.07 Favored 'Trans proline' 0 C--O 1.254 1.279 0 C-N-CA 122.556 2.171 . . . . 0.0 111.653 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.83 66.84 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.968 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -59.01 -40.19 84.16 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.169 0.987 . . . . 0.0 110.33 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.51 -32.19 32.5 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.636 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 88.4 mmm -52.97 -48.78 67.17 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.468 173.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.64 -34.39 75.64 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.576 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -29.52 61.08 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.623 0.725 . . . . 0.0 111.901 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.426 HD21 HD21 ' A' ' 37' ' ' LEU . 84.5 mt -102.34 -1.3 31.22 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.231 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 65.52 38.22 5.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.514 1.126 . . . . 0.0 113.196 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -109.21 158.31 17.95 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-O 121.217 0.532 . . . . 0.0 110.713 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 17.3 p30 -119.11 -177.33 3.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.756 178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.35 140.76 17.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 71.9 24.65 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.947 2.099 . . . . 0.0 110.24 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 10.7 t70 -79.96 127.18 31.96 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.22 133.5 48.94 Favored 'General case' 0 C--N 1.287 -2.128 0 O-C-N 124.225 0.953 . . . . 0.0 109.766 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.9 m -132.98 145.82 33.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-O 120.886 0.374 . . . . 0.0 110.602 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -99.98 132.59 45.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.554 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.499 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -118.05 114.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -123.82 141.04 52.4 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.084 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -93.44 125.85 38.26 Favored 'General case' 0 N--CA 1.385 -3.69 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -178.107 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -142.57 105.11 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.434 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 52.77 62.43 2.69 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.682 1.193 . . . . 0.0 112.213 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 2.25 43.78 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 114.557 -1.201 . . . . 0.0 114.729 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -104.46 143.52 32.9 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 117.471 0.636 . . . . 0.0 110.993 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 42.9 mt -92.92 99.64 12.25 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 167.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.48 127.17 39.99 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.055 0 CA-C-N 114.028 -1.442 . . . . 0.0 108.44 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 42.1 mm -125.07 122.49 63.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.241 -172.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.409 ' OE2' ' HD2' ' B' ' 46' ' ' PRO . 8.4 tp10 -130.59 136.88 29.64 Favored Pre-proline 0 C--N 1.286 -2.159 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' OE2' ' B' ' 45' ' ' GLU . 1.5 Cg_endo -80.54 170.32 15.98 Favored 'Trans proline' 0 N--CA 1.409 -3.476 0 C-N-CA 121.541 1.494 . . . . 0.0 109.059 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' B' ' 33' ' ' VAL . 4.1 t -123.4 93.34 2.4 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.255 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -86.19 139.49 31.01 Favored 'General case' 0 C--N 1.276 -2.608 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' B' ' 49' ' ' LYS . 3.9 mptp? -89.86 95.46 10.24 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-O 122.444 1.116 . . . . 0.0 109.044 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.279 -2.466 0 CA-C-N 112.787 -2.006 . . . . 0.0 108.132 -173.769 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.512 -0.515 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -121.21 -26.96 4.98 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.947 0.403 . . . . 0.0 111.559 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -90.29 -27.04 19.7 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 121.249 0.547 . . . . 0.0 110.96 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.85 151.42 32.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 44.0 m80 65.65 18.1 11.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.624 0.769 . . . . 0.0 111.917 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -93.37 -38.64 11.36 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 123.82 0.848 . . . . 0.0 109.176 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -100.84 14.47 31.63 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.158 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -84.1 117.4 23.42 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -77.98 96.9 5.17 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.145 0.498 . . . . 0.0 109.794 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -76.9 -37.7 54.93 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.573 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 91.3 mmm -101.12 101.88 12.71 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.803 0.811 . . . . 0.0 111.996 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 69.0 m -135.36 20.72 3.39 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.12 -33.09 75.19 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 113.572 -1.649 . . . . 0.0 112.086 -173.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -98.78 -23.22 15.48 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-O 121.833 0.825 . . . . 0.0 109.545 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -79.7 -49.25 12.37 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.72 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -85.19 92.15 8.33 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.523 0.677 . . . . 0.0 111.542 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -74.41 -28.14 60.94 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.446 175.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -119.51 -165.77 13.14 Favored Glycine 0 N--CA 1.417 -2.615 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -81.27 125.04 39.45 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' B' ' 32' ' ' GLU . 1.7 p-80 -81.7 143.86 31.56 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.536 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 76.8 p -138.44 -152.0 0.41 Allowed 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.155 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 18.4 p -159.0 134.57 8.62 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.37 105.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 173.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.77 167.23 9.85 Favored 'General case' 0 C--N 1.278 -2.505 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -102.74 118.67 37.35 Favored 'General case' 0 C--N 1.296 -1.761 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.702 -174.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -107.14 97.65 7.39 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.76 -129.61 13.66 Favored Glycine 0 N--CA 1.428 -1.851 0 N-CA-C 107.287 -2.325 . . . . 0.0 107.287 -173.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.64 27.26 8.14 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 117.355 0.578 . . . . 0.0 110.6 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -127.43 121.88 22.59 Favored Pre-proline 0 N--CA 1.425 -1.691 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -61.27 129.7 29.38 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.289 1.992 . . . . 0.0 110.478 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.95 138.96 52.83 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-O 121.073 0.463 . . . . 0.0 111.41 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.38 125.99 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.121 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -77.48 123.04 26.04 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.632 0.582 . . . . 0.0 111.189 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.55 131.87 24.11 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.16 134.39 36.45 Favored 'Trans proline' 0 C--O 1.249 1.072 0 C-N-CA 121.638 1.558 . . . . 0.0 110.272 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.09 -28.69 64.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.063 0.545 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.2 m -62.5 -38.78 91.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.345 0.658 . . . . 0.0 110.344 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -34.85 61.28 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-O 121.211 0.529 . . . . 0.0 111.093 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.7 mmm -54.69 -49.79 69.84 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.312 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.89 -37.98 89.42 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.539 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.6 87.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.464 0.649 . . . . 0.0 112.112 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 60.8 mt -93.85 -16.06 24.45 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.026 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 t30 67.14 69.65 0.39 Allowed 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.241 1.416 . . . . 0.0 111.749 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -133.66 159.99 38.85 Favored 'General case' 0 N--CA 1.4 -2.975 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 173.282 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -133.82 -176.97 4.35 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.9 mm -64.88 144.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 81.77 15.87 0.49 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.296 1.438 . . . . 0.0 112.516 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' B' ' 5' ' ' SER . 11.0 t70 -78.44 123.52 27.12 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.623 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 22.9 tt0 -86.7 104.31 15.97 Favored 'General case' 0 C--N 1.278 -2.534 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -177.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.4 m -100.73 161.57 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.175 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.207 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG3' HG21 ' A' ' 47' ' ' VAL . 52.6 mtmt -100.03 127.02 46.3 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.096 177.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.14 108.01 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 169.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -122.13 131.46 53.97 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.26 125.13 43.22 Favored 'General case' 0 N--CA 1.387 -3.605 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.4 t -147.53 134.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.25 21.9 12.32 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.992 0.917 . . . . 0.0 112.469 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.29 23.35 77.43 Favored Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.894 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 51.8 pttt -129.85 158.76 38.58 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 14.8 mt -88.45 118.83 28.35 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.88 120.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.951 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 47.7 mm -120.97 116.64 50.46 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.831 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.5 mt-10 -127.66 148.48 67.0 Favored Pre-proline 0 C--N 1.284 -2.28 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -89.73 154.85 5.12 Favored 'Trans proline' 0 N--CA 1.413 -3.246 0 C-N-CA 122.107 1.871 . . . . 0.0 109.19 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.604 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 32.6 t -131.51 131.87 62.65 Favored 'Isoleucine or valine' 1 C--N 1.233 -4.471 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.084 -174.043 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -99.69 126.52 45.74 Favored 'General case' 0 N--CA 1.388 -3.526 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 171.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HE3' ' OE1' ' A' ' 32' ' ' GLU . 75.0 mmtt -99.87 95.88 7.2 Favored 'General case' 0 N--CA 1.404 -2.725 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 174.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 N--CA 1.414 -2.265 0 CA-C-N 113.185 -1.825 . . . . 0.0 106.353 -169.219 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 CA--C 1.501 -0.929 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -123.72 -31.56 3.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.132 0.491 . . . . 0.0 110.862 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -88.76 -21.46 23.8 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.357 0.599 . . . . 0.0 111.468 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 28.7 m -134.89 155.57 38.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 39.6 m80 63.32 16.67 9.67 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.79 0.836 . . . . 0.0 112.733 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -92.53 -39.28 11.46 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.496 0.665 . . . . 0.0 109.905 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -99.31 11.68 38.4 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.942 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -9' ' ' HIS . . . . . 0.412 ' HD1' ' CD2' ' B' ' -7' ' ' HIS . 15.8 t-80 -78.85 124.26 28.04 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -82.65 99.37 9.54 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.257 0.551 . . . . 0.0 109.749 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -7' ' ' HIS . . . . . 0.412 ' CD2' ' HD1' ' B' ' -9' ' ' HIS . 69.4 m80 -82.47 -29.4 30.6 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.306 -177.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 94.9 mmm -110.4 100.02 8.93 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-O 122.059 0.933 . . . . 0.0 111.991 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 68.7 m -137.71 24.34 2.87 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 172.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.13 -35.74 82.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 112.889 -1.959 . . . . 0.0 110.389 -174.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.65 -26.36 16.37 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.312 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -77.72 -49.65 14.02 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.955 -1.02 . . . . 0.0 113.067 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -84.91 93.55 8.56 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.364 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -72.03 -32.47 67.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -114.73 -157.68 11.81 Favored Glycine 0 N--CA 1.427 -1.918 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.289 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt -87.61 124.43 40.9 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -82.28 136.17 35.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.637 0.732 . . . . 0.0 111.971 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.562 ' OG ' HG22 ' A' ' 33' ' ' VAL . 60.9 p -130.55 -153.24 0.55 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.225 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 34.6 p -160.44 131.41 5.61 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.69 109.12 7.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -107.71 166.71 10.49 Favored 'General case' 0 C--N 1.284 -2.267 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -101.03 120.07 39.66 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.158 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -107.62 97.44 7.17 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.6 -128.98 16.01 Favored Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -174.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -100.95 17.16 22.98 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 117.945 0.872 . . . . 0.0 112.253 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -122.05 127.92 25.75 Favored Pre-proline 0 N--CA 1.424 -1.728 0 O-C-N 122.03 -0.419 . . . . 0.0 110.017 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -62.68 130.29 29.19 Favored 'Trans proline' 0 C--O 1.244 0.783 0 C-N-CA 122.593 2.196 . . . . 0.0 110.462 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -128.36 138.94 52.59 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 120.991 0.424 . . . . 0.0 111.396 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 92.5 t -104.16 127.24 58.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.13 124.96 28.82 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 123.457 0.473 . . . . 0.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -101.42 129.66 26.43 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -65.39 134.68 39.69 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.021 1.814 . . . . 0.0 110.112 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -57.93 -30.57 66.04 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 123.187 0.595 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -62.25 -34.95 77.5 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.484 -1.577 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.83 -48.93 69.44 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.728 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 76.5 mt-30 -63.97 -38.86 92.61 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.097 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.15 76.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.222 0.534 . . . . 0.0 112.305 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 74.1 mt -99.9 -5.42 28.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 t30 60.91 64.57 1.12 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.019 1.328 . . . . 0.0 112.713 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -128.98 167.15 17.87 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -139.01 -175.9 4.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mm -69.44 144.81 13.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 82.07 13.32 0.56 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 125.121 1.368 . . . . 0.0 112.948 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 5' ' ' SER . 13.3 t70 -79.17 128.22 33.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.701 ' OE1' ' HE3' ' B' ' 49' ' ' LYS . 21.5 tt0 -87.05 106.15 17.65 Favored 'General case' 0 C--N 1.285 -2.239 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.514 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.3 m -103.2 160.01 4.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.579 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.467 ' HG3' HG21 ' B' ' 47' ' ' VAL . 50.8 mtmt -98.88 129.43 45.24 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.313 0.383 . . . . 0.0 110.11 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.35 104.01 15.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 29.2 t70 -121.73 129.08 52.45 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 126.7 41.96 Favored 'General case' 0 N--CA 1.39 -3.438 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -175.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 50.3 t -146.7 134.73 15.3 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.213 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.48 22.06 7.64 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 124.011 0.925 . . . . 0.0 113.265 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.17 21.54 77.86 Favored Glycine 0 N--CA 1.437 -1.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.772 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 47.5 pttt -130.18 158.74 38.87 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 176.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 42.7 mt -86.24 118.16 25.51 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 39.7 mm -98.12 119.84 46.67 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.986 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 48.3 mm -120.32 115.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.92 -174.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.94 148.81 61.11 Favored Pre-proline 0 C--N 1.283 -2.29 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -89.39 155.86 5.45 Favored 'Trans proline' 0 N--CA 1.41 -3.396 0 C-N-CA 121.887 1.725 . . . . 0.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' B' ' 32' ' ' GLU . 21.2 t -132.5 125.21 53.02 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.831 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.274 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -93.22 129.91 39.09 Favored 'General case' 0 N--CA 1.396 -3.132 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.701 ' HE3' ' OE1' ' B' ' 32' ' ' GLU . 75.1 mmtt -104.15 96.17 6.47 Favored 'General case' 0 C--N 1.271 -2.832 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.288 -2.1 0 CA-C-N 114.591 -1.186 . . . . 0.0 107.862 -168.546 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 . . . . . 0 CA--C 1.5 -0.972 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -75.34 -54.18 7.5 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.021 0.439 . . . . 0.0 109.995 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -111.38 159.72 17.74 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 45.3 t -86.12 82.93 2.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . 0.279 4.3 p80 -81.43 65.14 6.45 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 122.693 1.235 . . . . 0.0 112.928 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -100.29 -23.68 14.73 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 112.876 -1.966 . . . . 0.0 107.081 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -105.59 146.82 29.15 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.669 -1.151 . . . . 0.0 109.436 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -126.5 154.25 44.03 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 123.617 0.573 . . . . 0.0 109.745 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -106.99 137.53 44.88 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -97.3 148.99 22.57 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -150.92 -45.61 0.12 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.762 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 13.3 m -72.25 -33.92 67.87 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.148 0.499 . . . . 0.0 110.755 -175.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.6 -32.04 70.02 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.031 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.07 -27.0 48.48 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.274 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.33 -31.32 23.07 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.18 -175.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.39 104.21 12.52 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 118.981 -1.087 . . . . 0.0 109.409 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -98.87 -43.93 6.55 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.347 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 53.09 69.68 1.14 Allowed Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.656 -0.702 . . . . 0.0 114.253 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.6 mt -80.44 119.76 30.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -90.48 135.21 33.83 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.273 0.558 . . . . 0.0 110.764 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 47.3 m -149.14 -166.64 2.61 Favored 'General case' 0 C--N 1.279 -2.459 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.585 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 8.2 p -145.14 158.19 43.89 Favored 'General case' 0 N--CA 1.417 -2.093 0 CA-C-O 121.169 0.509 . . . . 0.0 110.829 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -93.58 117.18 36.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.585 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 57.6 mttm -117.49 172.05 7.59 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.112 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -98.87 118.66 36.13 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.552 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -112.55 94.09 4.75 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.93 -128.56 11.08 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 108.159 -1.976 . . . . 0.0 108.159 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -100.83 29.48 4.53 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -132.97 120.69 16.48 Favored Pre-proline 0 N--CA 1.414 -2.253 0 O-C-N 121.142 -0.973 . . . . 0.0 110.959 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -66.1 121.89 9.3 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.916 1.744 . . . . 0.0 110.216 172.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.62 145.1 51.82 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -113.02 143.6 22.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -81.24 129.33 34.55 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.594 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.9 130.65 22.51 Favored Pre-proline 0 C--N 1.311 -1.085 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -63.25 136.05 53.62 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.847 1.698 . . . . 0.0 111.242 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 23' ' ' GLN . . . -62.63 -27.41 69.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.098 0.475 . . . . 0.0 110.183 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -58.58 -39.43 80.31 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.408 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.46 -34.79 54.34 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-O 121.03 0.443 . . . . 0.0 110.633 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 84.4 mmm -53.63 -49.97 66.73 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.38 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 83.6 mm-40 -69.49 -32.88 72.03 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.508 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.37 75.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.414 0.626 . . . . 0.0 111.913 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.33 -2.86 23.42 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.594 0.711 . . . . 0.0 110.525 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.9 t30 55.59 63.73 1.97 Allowed 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 126.107 1.763 . . . . 0.0 113.305 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 158.85 26.83 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -124.73 179.04 5.15 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -69.38 135.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.032 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 71.47 27.3 3.08 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.84 1.656 . . . . 0.0 111.441 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -94.44 149.81 20.88 Favored 'General case' 0 N--CA 1.422 -1.858 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' B' ' 4' ' ' SER . 33.1 tt0 -90.64 137.59 32.24 Favored 'General case' 0 C--N 1.275 -2.642 0 O-C-N 123.717 0.635 . . . . 0.0 111.799 -170.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.5 m -135.5 158.33 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.102 0.477 . . . . 0.0 111.699 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' HG22 ' A' ' 47' ' ' VAL . 52.9 mtmt -98.93 131.2 45.18 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.497 174.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.48 129.58 71.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 173.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -138.71 154.68 48.59 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -103.22 120.12 40.14 Favored 'General case' 1 N--CA 1.372 -4.355 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -143.41 124.55 10.74 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.627 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 61.23 24.04 14.19 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.372 1.082 . . . . 0.0 111.47 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.84 19.29 58.17 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.53 -0.759 . . . . 0.0 113.976 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 159.05 43.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 117.444 0.622 . . . . 0.0 109.428 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -91.14 120.84 32.42 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.238 1.018 . . . . 0.0 109.113 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -99.29 117.08 43.9 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.361 0 CA-C-N 113.491 -1.686 . . . . 0.0 108.173 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.86 104.9 17.81 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.971 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 31.0 tt0 -124.04 118.48 26.8 Favored Pre-proline 0 C--N 1.291 -1.94 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 7.6 Cg_endo -57.83 151.84 53.87 Favored 'Trans proline' 0 N--CA 1.431 -2.184 0 C-N-CA 124.017 3.144 . . . . 0.0 111.583 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.7 t -93.46 111.63 25.17 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.933 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -84.65 125.84 32.84 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-O 122.577 1.18 . . . . 0.0 112.208 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 152.64 47.53 Favored 'General case' 0 N--CA 1.387 -3.625 0 C-N-CA 126.346 1.859 . . . . 0.0 106.625 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--N 1.29 -1.981 0 O-C-N 124.817 1.323 . . . . 0.0 108.904 -177.816 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 CA--C 1.498 -1.041 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -73.18 -50.31 23.27 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.232 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -118.72 155.37 31.19 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.63 79.76 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . 0.266 6.3 p80 -79.5 64.12 4.29 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 122.59 1.186 . . . . 0.0 113.321 -176.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -99.15 -22.53 15.62 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 113.377 -1.738 . . . . 0.0 107.261 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -106.42 140.8 38.77 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.775 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -120.21 162.68 18.96 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -112.31 139.96 47.42 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.312 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -103.23 136.85 42.25 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -138.98 -46.59 0.48 Allowed 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 13.3 m -71.34 -26.64 62.91 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.972 0.415 . . . . 0.0 111.369 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.37 -36.27 75.45 Favored 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 123.912 0.885 . . . . 0.0 110.912 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.06 -32.14 56.64 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 114.315 -1.312 . . . . 0.0 112.701 -173.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' -2' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' B' ' 0' ' ' LYS . 20.9 t0 -84.83 -33.16 22.95 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 119.651 -0.82 . . . . 0.0 112.55 -171.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.89 97.71 7.53 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 119.324 -0.95 . . . . 0.0 108.582 173.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 0' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' B' ' -2' ' ' ASP . 36.7 mttp -93.39 -42.57 9.21 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.304 -171.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 52.5 73.2 0.42 Allowed Glycine 0 CA--C 1.523 0.59 0 O-C-N 124.187 0.929 . . . . 0.0 114.638 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.6 mt -83.27 123.4 38.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -96.25 122.62 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.655 0.74 . . . . 0.0 111.865 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 60.1 m -134.22 -164.65 1.53 Allowed 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.851 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.607 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 5.7 p -143.39 167.06 23.07 Favored 'General case' 0 N--CA 1.414 -2.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.61 113.37 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.607 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 61.4 mttm -112.49 171.0 7.78 Favored 'General case' 0 C--N 1.264 -3.134 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.458 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -95.15 118.78 32.53 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.151 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -113.18 94.22 4.78 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.77 -127.24 10.27 Favored Glycine 0 N--CA 1.428 -1.885 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -97.47 14.38 26.6 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.772 0.796 . . . . 0.0 110.116 174.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -121.33 125.97 26.71 Favored Pre-proline 0 N--CA 1.405 -2.704 0 O-C-N 120.815 -1.178 . . . . 0.0 109.893 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.57 127.07 16.52 Favored 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 121.891 1.727 . . . . 0.0 109.67 171.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.84 145.87 48.72 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -114.85 140.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.99 128.41 33.23 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 123.653 0.596 . . . . 0.0 112.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.75 132.06 21.21 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -64.77 136.96 51.64 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.848 1.699 . . . . 0.0 110.998 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -63.77 -26.82 68.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -60.53 -37.13 80.21 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.264 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -33.99 48.17 Favored 'General case' 0 CA--C 1.482 -1.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.529 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.7 mmm -54.09 -50.96 65.64 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.413 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.63 -33.02 73.29 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.134 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -28.11 69.28 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.16 6.34 16.26 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.989 0.899 . . . . 0.0 110.058 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 66.9 t30 47.57 62.37 2.48 Favored 'General case' 0 C--O 1.25 1.111 0 C-N-CA 126.902 2.081 . . . . 0.0 113.799 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.97 156.19 28.94 Favored 'General case' 0 N--CA 1.392 -3.345 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 172.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -125.84 -179.43 4.67 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.52 138.96 21.42 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-O 120.875 0.369 . . . . 0.0 110.224 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 71.07 25.73 3.63 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 126.287 1.835 . . . . 0.0 111.687 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.416 ' CG ' ' HZ1' ' B' ' 49' ' ' LYS . 5.5 t0 -92.76 144.38 25.35 Favored 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 177.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.3 tt0 -87.27 135.31 33.36 Favored 'General case' 0 C--N 1.281 -2.407 0 O-C-N 123.646 0.591 . . . . 0.0 111.428 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.527 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -135.16 155.57 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.201 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -96.3 131.66 42.58 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.755 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.31 127.44 71.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -137.57 150.53 47.54 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.29 119.07 36.32 Favored 'General case' 1 N--CA 1.375 -4.22 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 175.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -143.06 128.69 16.41 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.733 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.471 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 58.77 22.67 10.33 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 122.261 1.029 . . . . 0.0 112.016 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.43 61.39 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.579 -0.82 . . . . 0.0 113.452 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 161.91 35.88 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 122.526 -0.396 . . . . 0.0 109.966 177.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -92.92 119.4 32.18 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-O 122.145 0.974 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -98.06 119.13 45.67 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.45 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.551 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.6 mm -109.33 106.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.909 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 33.1 tt0 -125.34 115.08 25.6 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 7.9 Cg_endo -57.66 150.95 58.25 Favored 'Trans proline' 0 N--CA 1.433 -2.081 0 C-N-CA 123.764 2.976 . . . . 0.0 111.739 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' B' ' 33' ' ' VAL . 22.8 t -91.84 113.35 27.08 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.049 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -87.26 126.05 34.59 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-O 122.25 1.024 . . . . 0.0 111.839 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.416 ' HZ1' ' CG ' ' B' ' 31' ' ' ASP . 0.0 OUTLIER -139.28 157.17 46.37 Favored 'General case' 0 N--CA 1.388 -3.546 0 C-N-CA 126.593 1.957 . . . . 0.0 106.713 177.28 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.294 -1.825 0 O-C-N 124.81 1.319 . . . . 0.0 110.719 -179.019 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 CA--C 1.509 -0.601 0 CA-C-O 120.946 0.403 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -142.18 127.22 18.43 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -80.17 -35.61 36.22 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.77 140.35 48.73 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.947 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -110.91 133.49 53.33 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.193 0.521 . . . . 0.0 110.54 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -114.94 11.44 16.57 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -96.57 90.93 5.52 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -120.38 -30.76 4.51 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.755 -176.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 69.1 100.34 0.06 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.785 0.834 . . . . 0.0 111.015 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -84.39 -38.02 20.78 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.388 0.613 . . . . 0.0 109.718 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 26.2 ttt -123.55 141.63 51.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.733 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' SER . . . . . 0.467 ' HB3' ' OD1' ' A' ' -2' ' ' ASP . 14.9 m -79.55 95.5 5.87 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -72.08 -51.98 18.97 Favored 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -174.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -77.32 -25.12 50.9 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.078 -173.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.467 ' OD1' ' HB3' ' A' ' -5' ' ' SER . 8.0 m-20 -62.04 -29.91 70.61 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.687 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -99.74 126.11 45.75 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -123.33 25.72 8.23 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 65.09 66.62 2.37 Favored Glycine 0 C--N 1.319 -0.392 0 C-N-CA 121.267 -0.492 . . . . 0.0 113.496 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.77 128.31 38.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -137.94 122.56 18.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 122.141 0.972 . . . . 0.0 110.886 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.8 m -132.34 -160.13 1.02 Allowed 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.264 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.563 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 12.7 p -150.57 155.34 39.24 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 118.042 0.383 . . . . 0.0 110.551 -178.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -82.52 122.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -111.3 166.91 10.7 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.62 119.88 39.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.578 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -105.54 93.05 4.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.62 -112.72 3.61 Favored Glycine 0 N--CA 1.431 -1.696 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -108.54 16.82 22.66 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -135.37 138.31 28.48 Favored Pre-proline 0 N--CA 1.417 -2.076 0 O-C-N 120.744 -1.223 . . . . 0.0 111.144 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -66.8 125.59 13.98 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 123.316 2.678 . . . . 0.0 111.482 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.64 142.26 45.16 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.196 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.01 139.4 35.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -80.69 126.09 30.85 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 123.665 0.603 . . . . 0.0 109.801 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -97.81 129.81 30.41 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 132.93 43.8 Favored 'Trans proline' 0 C--O 1.258 1.496 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.41 -29.51 66.14 Favored 'General case' 0 C--O 1.213 -0.863 0 C-N-CA 123.38 0.672 . . . . 0.0 111.006 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -54.26 -40.43 67.78 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 123.561 0.744 . . . . 0.0 111.428 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HG ' HD21 ' B' ' 42' ' ' LEU . 3.8 mm? -78.89 -35.14 44.08 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.819 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 83.2 mmm -52.26 -45.79 65.53 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.427 -1.261 . . . . 0.0 109.075 173.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 46.8 mt-30 -80.83 -19.25 45.05 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.581 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -40.16 48.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.046 0.927 . . . . 0.0 109.484 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.5 -19.16 20.78 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.272 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 70.08 69.59 0.22 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 113.593 -1.64 . . . . 0.0 112.034 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -126.69 174.1 8.99 Favored 'General case' 0 N--CA 1.408 -2.57 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -142.54 -169.9 3.08 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.96 140.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-O 121.183 0.516 . . . . 0.0 112.146 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 t70 74.04 20.51 2.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.69 1.996 . . . . 0.0 110.154 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.29 134.25 34.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -70.27 139.73 52.2 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.3 -176.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.437 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.4 m -133.56 151.09 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 CA-C-O 121.198 0.523 . . . . 0.0 110.789 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HG3' HG22 ' A' ' 47' ' ' VAL . 8.9 mtmp? -95.09 133.85 38.44 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.903 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.2 mp -110.4 103.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.653 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 28.1 m-20 -97.43 124.92 41.79 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -99.32 131.26 45.47 Favored 'General case' 0 N--CA 1.38 -3.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -172.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -145.02 110.09 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.873 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 64.19 22.17 12.77 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 123.42 0.688 . . . . 0.0 112.462 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 -0.51 89.15 Favored Glycine 0 C--N 1.3 -1.45 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.145 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -87.73 133.37 33.86 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.536 HD21 ' HG ' ' B' ' 21' ' ' LEU . 23.1 mt -91.47 114.98 27.65 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 121.881 0.848 . . . . 0.0 111.813 -176.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.7 mp -99.65 121.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.171 176.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -107.5 114.54 46.53 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.032 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.178 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 41.8 tt0 -136.36 110.83 9.81 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.509 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 6.2 Cg_endo -48.32 157.71 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.771 2.981 . . . . 0.0 113.306 171.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.6 t -106.25 103.31 15.23 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.969 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 177.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -76.21 135.52 39.71 Favored 'General case' 0 C--N 1.276 -2.617 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.49 -173.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -88.53 101.27 13.77 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.728 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--N 1.26 -3.304 0 CA-C-N 113.24 -1.8 . . . . 0.0 107.165 179.735 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 9.0 t30 . . . . . 0 CA--C 1.506 -0.733 0 CA-C-O 121.213 0.53 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' -15' ' ' HIS . . . . . 0.405 ' HB2' ' NE2' ' B' ' -12' ' ' HIS . 63.3 m-70 -146.79 129.34 15.98 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 176.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -82.92 -30.02 28.73 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 30.0 m -131.09 147.7 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.978 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.699 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -12' ' ' HIS . . . . . 0.405 ' NE2' ' HB2' ' B' ' -15' ' ' HIS . 58.6 m80 -118.94 130.79 55.9 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.966 0.413 . . . . 0.0 110.134 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -110.11 4.03 20.77 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -88.83 95.29 10.23 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.565 -176.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -123.84 -32.89 3.23 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.867 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 70.25 98.8 0.06 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.245 1.418 . . . . 0.0 111.012 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -79.52 -39.46 31.93 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.912 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 28.3 ttt -122.44 141.85 51.18 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.27 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 17.9 m -79.37 97.23 6.26 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -76.35 -42.45 44.74 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -172.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -87.49 -22.55 24.83 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.016 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.94 -38.31 78.72 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.08 0.467 . . . . 0.0 111.242 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -93.95 125.11 38.39 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -119.48 29.7 7.48 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 62.78 75.77 0.31 Allowed Glycine 0 CA--C 1.509 -0.3 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.85 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.82 128.69 40.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.15 138.08 46.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.436 0.636 . . . . 0.0 109.997 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.5 m -146.36 -159.28 1.0 Allowed 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.593 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.1 p -150.86 153.73 35.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 118.322 0.51 . . . . 0.0 110.903 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.46 123.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.593 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.7 mmtt -112.55 167.83 10.15 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -102.73 116.56 32.83 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.81 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -103.52 94.14 5.32 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -115.15 4.11 Favored Glycine 0 N--CA 1.423 -2.172 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.02 22.63 14.63 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.163 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -139.04 139.3 22.97 Favored Pre-proline 0 N--CA 1.417 -2.105 0 O-C-N 120.984 -1.072 . . . . 0.0 110.475 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.77 126.9 16.08 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 123.382 2.722 . . . . 0.0 111.665 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.71 140.66 46.14 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.23 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.17 138.34 38.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -80.93 125.94 30.76 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 123.584 0.553 . . . . 0.0 110.026 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -95.22 132.05 28.7 Favored Pre-proline 0 C--N 1.305 -1.329 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.36 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.45 129.23 27.34 Favored 'Trans proline' 0 C--O 1.256 1.388 0 C-N-CA 122.668 2.245 . . . . 0.0 111.39 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -59.58 -25.28 64.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.24 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -58.25 -37.68 75.39 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.952 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.536 ' HG ' HD21 ' A' ' 42' ' ' LEU . 3.8 mm? -80.59 -35.56 34.01 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 120.998 0.428 . . . . 0.0 110.529 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.4 mmm -51.63 -47.12 63.8 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.975 173.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.75 -24.49 52.98 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.981 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.9 62.14 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-O 122.052 0.93 . . . . 0.0 110.006 -171.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.59 -25.17 19.32 Favored 'General case' 0 C--N 1.284 -2.27 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.377 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 76.53 69.86 0.07 Allowed 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.478 -1.692 . . . . 0.0 112.18 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.6 178.22 5.54 Favored 'General case' 0 N--CA 1.402 -2.836 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.617 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -142.85 -172.12 3.59 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 123.246 0.618 . . . . 0.0 109.465 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 28.4 mm -72.13 138.75 20.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.904 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 74.58 25.88 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 126.197 1.799 . . . . 0.0 109.674 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.428 ' CG ' ' HZ3' ' B' ' 49' ' ' LYS . 16.3 t70 -94.91 135.2 36.71 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.48 138.04 48.67 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.267 1.027 . . . . 0.0 111.613 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -133.87 149.0 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-O 120.983 0.421 . . . . 0.0 109.905 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' B' ' 47' ' ' VAL . 9.4 mtmp? -93.44 135.24 34.87 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.32 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.0 mp -109.42 105.19 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.221 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 173.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.616 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 12.7 m-20 -97.89 128.8 44.72 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -102.29 131.77 48.66 Favored 'General case' 0 N--CA 1.383 -3.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -172.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -145.91 110.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.903 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 62.87 21.47 12.85 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.578 1.151 . . . . 0.0 112.859 176.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.36 -0.47 85.47 Favored Glycine 0 C--N 1.305 -1.157 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.59 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -87.72 132.63 34.06 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.475 HD21 ' HG ' ' A' ' 21' ' ' LEU . 54.7 mt -90.57 113.08 25.01 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.854 0.835 . . . . 0.0 112.266 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.7 mp -98.01 120.56 47.5 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.371 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.9 mm -107.9 116.31 51.02 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-N 114.087 -1.415 . . . . 0.0 109.16 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.48 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.2 tt0 -139.51 110.67 7.53 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.675 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.48 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.7 Cg_endo -47.75 156.97 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.117 3.212 . . . . 0.0 113.6 172.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' B' ' 33' ' ' VAL . 21.8 t -107.87 94.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.795 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -66.93 140.28 57.75 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 114.697 -1.138 . . . . 0.0 113.223 -174.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' B' ' 31' ' ' ASP . 12.8 mptt -91.56 101.82 14.47 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.523 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--N 1.27 -2.876 0 CA-C-N 113.675 -1.602 . . . . 0.0 108.663 -178.249 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 8.7 p30 . . . . . 0 CA--C 1.512 -0.485 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -104.88 171.26 7.42 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 110.634 -0.136 . . . . 0.0 110.634 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 68.22 31.17 5.36 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.112 0.965 . . . . 0.0 111.01 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 16.4 m -67.34 94.14 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.081 0.943 . . . . 0.0 112.238 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -91.11 -28.64 17.78 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.791 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -99.03 93.13 5.83 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -150.04 145.89 26.65 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -100.57 47.69 0.92 Allowed 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 122.083 0.944 . . . . 0.0 110.616 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 33.6 m170 72.75 -54.09 0.69 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.157 1.783 . . . . 0.0 112.668 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -140.98 154.36 46.0 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -81.56 66.37 7.08 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 33.5 t -76.17 102.43 5.77 Favored 'General case' 0 N--CA 1.412 -2.351 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.85 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 0' ' ' LYS . 30.5 t70 -67.8 -31.63 71.63 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.856 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.2 -45.57 92.69 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.373 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.11 -36.26 64.2 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 122.42 1.105 . . . . 0.0 110.526 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -93.52 23.51 4.57 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.896 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' -4' ' ' ASP . 33.3 tttp -92.47 -41.72 10.13 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.35 -0.844 . . . . 0.0 111.576 -172.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 67.37 -112.66 4.97 Favored Glycine 0 N--CA 1.426 -2.028 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.0 mt -103.42 124.97 57.97 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.533 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -103.57 100.72 10.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.408 1.099 . . . . 0.0 110.37 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -112.6 -165.12 0.96 Allowed 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -148.03 157.2 43.39 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -176.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.5 t -86.32 126.9 40.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -114.96 168.89 9.51 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -103.75 118.44 36.71 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.128 0.49 . . . . 0.0 111.412 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -104.69 96.32 6.5 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.1 -122.38 6.16 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 107.603 -2.199 . . . . 0.0 107.603 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.29 26.25 10.85 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.826 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -132.83 134.78 24.97 Favored Pre-proline 0 N--CA 1.427 -1.623 0 O-C-N 121.65 -0.656 . . . . 0.0 110.385 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -65.43 126.68 16.65 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 123.137 2.558 . . . . 0.0 111.787 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.04 144.66 50.18 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 p -121.35 139.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -80.57 126.94 31.87 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.872 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -87.7 127.58 57.68 Favored Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.89 132.82 49.82 Favored 'Trans proline' 0 C--O 1.252 1.179 0 C-N-CA 121.799 1.666 . . . . 0.0 111.11 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.92 68.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.382 0.61 . . . . 0.0 109.664 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -59.2 -39.72 83.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.021 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.12 -37.69 33.08 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-O 120.796 0.332 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -48.85 -49.48 39.17 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.083 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.92 -18.79 45.94 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.834 -1.076 . . . . 0.0 113.056 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -34.51 65.65 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.881 0.848 . . . . 0.0 109.638 -174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 2.4 mm? -96.52 -27.08 15.03 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.872 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 70.53 68.88 0.2 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.749 1.619 . . . . 0.0 109.674 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.24 167.09 11.84 Favored 'General case' 0 N--CA 1.415 -2.2 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -129.37 -172.85 2.85 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -75.97 143.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.07 28.3 2.53 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 124.423 1.089 . . . . 0.0 110.812 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.52 132.15 44.18 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.48 139.23 57.02 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 124.377 1.071 . . . . 0.0 110.67 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.503 ' HA ' HG23 ' A' ' 47' ' ' VAL . 5.1 m -131.83 149.6 32.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 CA-C-O 120.764 0.316 . . . . 0.0 110.405 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -94.42 126.91 39.99 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.94 106.55 18.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.61 138.3 53.43 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.62 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.13 126.86 35.34 Favored 'General case' 0 N--CA 1.398 -3.064 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.73 123.87 4.83 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.527 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.749 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 60.37 20.74 10.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.8 1.24 . . . . 0.0 111.76 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.7 -2.17 79.73 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.625 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 156.86 19.88 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 117.899 0.849 . . . . 0.0 109.274 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.1 mt -90.99 117.6 29.71 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-O 122.121 0.962 . . . . 0.0 109.051 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -87.53 100.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 CA-C-N 113.233 -1.803 . . . . 0.0 106.911 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.477 HD12 HD12 ' B' ' 44' ' ' ILE . 60.4 mt -111.56 104.76 17.57 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.316 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.104 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 39.4 tt0 -120.5 108.43 37.61 Favored Pre-proline 0 C--N 1.282 -2.346 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.735 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 11.4 Cg_endo -54.69 150.58 35.44 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 121.968 1.779 . . . . 0.0 110.235 169.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 33' ' ' VAL . 10.6 t -100.31 107.29 20.73 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.549 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.213 -173.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -74.59 147.29 41.81 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.433 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -103.24 96.89 7.07 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 C--N 1.286 -2.153 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 -179.677 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -109.56 175.22 5.53 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 65.48 34.34 8.06 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.112 0.882 . . . . 0.0 110.018 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 17.6 m -73.25 93.4 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.949 0.88 . . . . 0.0 111.635 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -90.4 -25.83 20.19 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -101.48 96.63 7.26 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -153.22 143.47 22.38 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -95.7 46.0 1.09 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.75 0.786 . . . . 0.0 111.06 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 35.3 m170 72.82 -59.42 0.57 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.824 1.649 . . . . 0.0 112.189 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -134.01 156.06 48.87 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -81.91 63.52 6.19 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.572 0.701 . . . . 0.0 109.873 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 45.5 t -72.12 107.18 4.66 Favored 'General case' 0 N--CA 1.42 -1.94 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.971 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -4' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' B' ' 0' ' ' LYS . 13.3 t70 -71.88 -34.29 69.06 Favored 'General case' 0 C--O 1.202 -1.444 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.52 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -55.56 -44.65 77.02 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.494 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -79.56 -26.35 41.42 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.259 0.552 . . . . 0.0 111.382 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -103.88 19.42 20.01 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.41 1.1 . . . . 0.0 110.171 -174.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 0' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' -4' ' ' ASP . 36.6 tttp -88.12 -41.46 13.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.278 -0.889 . . . . 0.0 111.312 -172.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 69.14 -109.5 2.92 Favored Glycine 0 N--CA 1.425 -2.058 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.43 120.81 59.4 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.563 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -97.27 104.37 16.38 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 122.434 1.111 . . . . 0.0 110.548 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.4 m -114.06 -164.78 0.95 Allowed 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.894 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -150.48 156.71 41.97 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -85.53 124.85 40.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -110.88 172.0 7.13 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -108.06 115.35 29.97 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -102.11 94.83 5.96 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.84 5.3 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -111.46 28.06 9.09 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.4 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.3 m -136.73 136.14 21.23 Favored Pre-proline 0 N--CA 1.417 -2.098 0 O-C-N 121.626 -0.672 . . . . 0.0 110.292 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.83 126.43 15.95 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 123.067 2.511 . . . . 0.0 111.513 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 143.83 50.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.734 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -121.87 138.15 53.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -81.74 123.25 28.59 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.622 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -84.06 128.25 63.46 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.31 133.85 55.13 Favored 'Trans proline' 0 C--O 1.251 1.126 0 C-N-CA 121.872 1.715 . . . . 0.0 111.392 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -27.85 68.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.393 0.616 . . . . 0.0 109.613 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -59.78 -38.91 83.2 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.395 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.77 -37.92 26.44 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.044 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.1 mmm -49.42 -49.33 45.45 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.372 1.045 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -82.09 -18.2 43.86 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.854 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.03 73.72 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 122.083 0.944 . . . . 0.0 109.117 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.412 ' HB2' HD23 ' B' ' 27' ' ' LEU . 2.2 mm? -95.12 -25.46 16.42 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.061 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 67.93 70.54 0.33 Allowed 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 125.547 1.539 . . . . 0.0 109.544 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -118.87 169.02 10.22 Favored 'General case' 0 N--CA 1.411 -2.415 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.08 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -130.51 -175.68 3.73 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.35 145.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.45 27.65 3.03 Favored 'General case' 0 CA--C 1.49 -1.347 0 C-N-CA 124.232 1.013 . . . . 0.0 111.267 -177.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -100.27 136.39 40.23 Favored 'General case' 0 N--CA 1.423 -1.794 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.73 138.72 50.78 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 124.17 0.988 . . . . 0.0 110.896 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.464 ' HA ' HG23 ' B' ' 47' ' ' VAL . 4.6 m -131.23 149.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -92.86 128.73 38.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.541 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.76 105.96 17.31 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -127.6 136.75 52.09 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.99 128.28 35.08 Favored 'General case' 0 N--CA 1.397 -3.084 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -146.41 123.47 3.74 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.906 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 57.02 29.4 16.38 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.947 0.899 . . . . 0.0 112.156 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.42 -3.77 86.74 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.121 -0.561 . . . . 0.0 114.205 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 154.61 25.19 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 117.917 0.858 . . . . 0.0 109.378 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.79 116.76 26.16 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-O 121.856 0.836 . . . . 0.0 108.929 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mm -86.23 100.98 9.95 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.067 0 CA-C-N 113.608 -1.633 . . . . 0.0 106.853 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 44' ' ' ILE . 62.9 mt -111.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.942 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 36.4 tt0 -125.64 109.42 25.77 Favored Pre-proline 0 C--N 1.275 -2.67 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.659 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 10.5 Cg_endo -53.52 150.52 27.13 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 C-N-CA 122.186 1.924 . . . . 0.0 110.65 170.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.464 HG23 ' HA ' ' B' ' 33' ' ' VAL . 12.5 t -100.25 106.23 18.89 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.362 0 CA-C-N 115.432 -0.803 . . . . 0.0 108.876 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -75.28 147.93 39.82 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.407 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -105.28 97.15 7.03 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--N 1.283 -2.323 0 CA-C-N 114.314 -1.312 . . . . 0.0 107.996 -177.505 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -120.45 146.54 46.14 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -88.5 76.26 8.25 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.62 126.61 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.945 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 28.1 m170 63.21 14.0 7.38 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.826 1.251 . . . . 0.0 111.117 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 61.78 18.99 10.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.869 0.868 . . . . 0.0 110.473 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -98.89 70.67 1.85 Allowed 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 122.114 0.959 . . . . 0.0 108.452 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -97.99 -5.96 33.01 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.634 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -148.57 153.29 38.17 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -124.51 130.8 53.12 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 123.251 0.344 . . . . 0.0 110.247 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 20.8 ptp -51.99 107.13 0.18 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.243 0.964 . . . . 0.0 109.169 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 12.1 m -90.01 41.74 1.06 Allowed 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.911 -170.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.75 -36.03 24.34 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 125.515 1.526 . . . . 0.0 113.053 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.21 -38.92 91.95 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.578 -175.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -95.77 -64.05 1.09 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.575 0.702 . . . . 0.0 109.238 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.11 101.11 13.17 Favored 'General case' 0 CA--C 1.487 -1.452 0 N-CA-C 105.82 -1.919 . . . . 0.0 105.82 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -69.81 -42.23 73.97 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.7 -168.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' O ' ' HD2' ' A' ' 3' ' ' HIS . . . 50.69 57.22 11.07 Favored Glycine 0 N--CA 1.438 -1.177 0 O-C-N 124.565 1.166 . . . . 0.0 113.191 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.4 mt -76.95 109.28 11.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 175.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' A' ' 1' ' ' GLY . 12.7 m-70 -90.81 119.54 31.11 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.297 0.57 . . . . 0.0 111.871 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.455 ' OG ' HG22 ' B' ' 33' ' ' VAL . 97.0 p -110.18 -143.66 0.39 Allowed 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' B' ' 32' ' ' GLU . 26.2 t -160.91 137.94 8.93 Favored 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 15' ' ' VAL . 88.0 t -80.16 115.73 23.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 174.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -110.85 176.34 5.07 Favored 'General case' 0 N--CA 1.413 -2.281 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.94 115.62 30.12 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.786 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -105.56 96.08 6.26 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.86 -122.47 5.86 Favored Glycine 0 N--CA 1.431 -1.643 0 N-CA-C 107.173 -2.371 . . . . 0.0 107.173 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -110.72 26.99 10.1 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 117.395 0.597 . . . . 0.0 110.136 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 m -129.24 131.84 23.92 Favored Pre-proline 0 N--CA 1.417 -2.092 0 O-C-N 121.787 -0.571 . . . . 0.0 109.876 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.519 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.8 Cg_endo -64.79 122.05 9.77 Favored 'Trans proline' 0 C--N 1.317 -1.109 0 C-N-CA 122.499 2.133 . . . . 0.0 110.908 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.42 132.82 50.03 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.814 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 6' ' ' VAL . 88.4 t -104.19 137.75 31.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -78.75 116.46 19.11 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 123.768 0.667 . . . . 0.0 109.551 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.2 mp -95.89 139.95 22.07 Favored Pre-proline 0 C--N 1.305 -1.369 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -69.09 121.63 8.47 Favored 'Trans proline' 0 C--O 1.255 1.357 0 C-N-CA 121.345 1.364 . . . . 0.0 110.117 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.44 -24.3 67.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.25 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -55.09 -28.48 52.76 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.597 1.159 . . . . 0.0 111.986 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.22 -33.04 26.2 Favored 'General case' 0 CA--C 1.49 -1.346 0 CA-C-O 121.505 0.669 . . . . 0.0 111.019 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtp -61.93 -45.65 92.75 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -68.94 -24.45 64.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.051 -1.431 . . . . 0.0 112.208 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.92 85.42 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.1 -20.72 21.72 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.179 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 75.08 70.0 0.09 Allowed 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.807 1.243 . . . . 0.0 111.019 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 46' ' ' PRO . 4.4 pp -134.7 175.2 9.77 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.56 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -136.44 167.81 20.64 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 122.672 0.389 . . . . 0.0 110.198 -178.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.4 mm -48.88 148.51 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.431 0 O-C-N 124.864 1.353 . . . . 0.0 111.139 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 t70 87.31 10.94 0.14 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.471 1.509 . . . . 0.0 109.969 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . 8.1 p-10 -79.6 -174.4 4.27 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' B' ' 5' ' ' SER . 9.2 pt-20 -131.34 159.47 37.84 Favored 'General case' 0 C--N 1.286 -2.167 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.022 -175.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.6 m -133.89 145.12 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.929 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.082 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -93.57 104.93 17.02 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.571 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mp -87.3 121.2 37.68 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.37 141.25 48.83 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.65 130.76 45.17 Favored 'General case' 0 N--CA 1.383 -3.79 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.57 107.17 2.24 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.816 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.708 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 29.4 t70 48.99 62.49 2.57 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.48 1.112 . . . . 0.0 113.346 176.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.93 -12.02 9.86 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.358 0.903 . . . . 0.0 115.358 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HD3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -115.48 150.19 36.9 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 118.61 1.205 . . . . 0.0 110.915 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -97.41 126.69 42.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.792 0.806 . . . . 0.0 109.114 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mm -91.82 110.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.229 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -111.77 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.875 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.313 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 34.4 tt0 -118.39 101.47 51.06 Favored Pre-proline 0 C--N 1.298 -1.653 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HB2' HD21 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -55.7 142.73 82.2 Favored 'Trans proline' 0 C--O 1.247 0.974 0 C-N-CA 123.088 2.525 . . . . 0.0 112.676 172.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.08 115.59 5.6 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.452 0 CA-C-N 113.238 -1.801 . . . . 0.0 111.193 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -74.39 154.12 38.95 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-O 122.242 1.02 . . . . 0.0 112.47 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.473 ' HG3' ' HA ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -134.18 140.15 46.33 Favored 'General case' 1 N--CA 1.378 -4.059 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 176.648 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.283 -2.302 0 O-C-N 125.174 1.546 . . . . 0.0 107.887 -165.085 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 120.743 0.306 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -115.68 150.04 37.4 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -87.12 85.3 7.21 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 11.0 p -75.64 124.39 33.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.365 -175.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 28.7 m170 65.53 11.91 7.79 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.684 1.194 . . . . 0.0 110.634 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 66.83 11.25 8.16 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.6 1.16 . . . . 0.0 110.491 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -91.9 73.45 5.67 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-O 121.934 0.873 . . . . 0.0 108.956 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -102.98 0.25 31.9 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 122.41 1.1 . . . . 0.0 108.283 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -150.27 154.58 38.16 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -127.08 134.65 50.22 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 22.0 ptp -58.85 107.48 0.53 Allowed 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 124.456 1.097 . . . . 0.0 109.163 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 17.0 m -87.42 48.87 1.71 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.605 -171.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -57.84 -30.22 65.6 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.24 1.416 . . . . 0.0 112.354 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.15 -42.56 68.98 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.122 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -94.46 -58.19 2.27 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.17 0.509 . . . . 0.0 110.005 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.45 100.47 13.23 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 105.747 -1.946 . . . . 0.0 105.747 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -66.44 -42.73 87.21 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.55 -168.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 49.53 60.55 6.26 Favored Glycine 0 N--CA 1.435 -1.399 0 O-C-N 124.416 1.073 . . . . 0.0 112.989 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 76.8 mt -79.86 110.13 15.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 174.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 11.8 m170 -90.12 118.19 29.46 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.102 0.477 . . . . 0.0 111.602 -176.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.578 ' OG ' HG22 ' A' ' 33' ' ' VAL . 93.7 p -107.7 -148.95 0.43 Allowed 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 31.4 t -156.48 138.24 14.24 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.425 HG22 HG22 ' B' ' 15' ' ' VAL . 92.3 t -80.24 114.7 21.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -110.58 169.74 8.55 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -101.97 118.84 37.75 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.158 0.504 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -109.49 97.78 7.28 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 -119.54 5.53 Favored Glycine 0 N--CA 1.434 -1.475 0 N-CA-C 108.173 -1.971 . . . . 0.0 108.173 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -111.18 25.27 11.92 Favored 'General case' 0 C--N 1.288 -2.081 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.935 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -129.14 134.71 26.61 Favored Pre-proline 0 N--CA 1.412 -2.342 0 O-C-N 121.641 -0.662 . . . . 0.0 109.818 -175.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 15.1 Cg_endo -66.42 121.27 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.635 2.224 . . . . 0.0 109.869 172.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -126.81 132.14 51.08 Favored 'General case' 0 N--CA 1.412 -2.36 0 CA-C-O 121.259 0.552 . . . . 0.0 109.755 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.425 HG22 HG22 ' B' ' 6' ' ' VAL . 91.5 t -102.58 137.92 28.8 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -79.35 113.26 17.35 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 123.625 0.578 . . . . 0.0 109.742 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.2 mp -93.6 137.6 23.25 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -67.61 121.87 9.0 Favored 'Trans proline' 0 C--O 1.254 1.277 0 C-N-CA 121.415 1.41 . . . . 0.0 110.078 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -24.0 67.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 111.484 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -54.43 -27.75 39.25 Favored 'General case' 0 CA--C 1.575 1.923 0 C-N-CA 124.891 1.277 . . . . 0.0 111.919 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.6 -33.15 23.41 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 121.481 0.658 . . . . 0.0 111.17 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.409 ' O ' ' HG ' ' B' ' 27' ' ' LEU . 78.3 mtp -61.57 -44.46 96.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.9 -26.4 65.08 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.794 -1.548 . . . . 0.0 111.979 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.12 71.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.296 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.48 -15.68 21.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.966 -0.693 . . . . 0.0 109.332 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 71.31 68.87 0.17 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.411 1.084 . . . . 0.0 112.112 -173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' B' ' 46' ' ' PRO . 4.5 pp -134.95 174.97 10.0 Favored 'General case' 0 N--CA 1.409 -2.486 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.821 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -136.71 171.43 14.51 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.042 -177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.9 mm -52.14 148.21 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.246 0 O-C-N 124.734 1.271 . . . . 0.0 111.422 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ASP . . . . . 0.447 ' O ' ' HD2' ' B' ' 49' ' ' LYS . 25.4 t70 88.77 10.72 0.09 Allowed 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 125.865 1.666 . . . . 0.0 110.262 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.446 ' HA ' ' HG3' ' B' ' 49' ' ' LYS . 8.5 p-10 -79.8 -174.82 4.57 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 9.2 pt-20 -130.08 158.71 38.89 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.109 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.455 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.4 m -134.71 143.35 37.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.04 -1.064 . . . . 0.0 109.716 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -92.24 103.46 15.92 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.001 0.813 . . . . 0.0 110.344 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.39 118.69 32.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -130.53 139.78 50.49 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 174.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.79 130.38 44.06 Favored 'General case' 0 N--CA 1.388 -3.547 0 N-CA-C 107.346 -1.354 . . . . 0.0 107.346 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.13 106.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.677 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.007 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.561 ' O ' ' HD3' ' B' ' 41' ' ' LYS . 31.3 t70 48.89 62.77 2.42 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.358 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.0 -15.12 8.87 Favored Glycine 0 C--N 1.306 -1.137 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 0.0 OUTLIER -114.87 151.52 33.8 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-N 118.29 1.045 . . . . 0.0 111.375 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.57 126.06 41.48 Favored 'General case' 0 N--CA 1.416 -2.145 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.188 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.31 110.91 23.08 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.366 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.24 104.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.858 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.25 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -119.22 104.66 45.67 Favored Pre-proline 0 C--N 1.289 -2.031 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.721 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.522 ' HB2' HD21 ' B' ' 27' ' ' LEU . 18.4 Cg_endo -55.74 144.54 75.84 Favored 'Trans proline' 0 C--O 1.252 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.679 171.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.69 115.59 4.85 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.474 0 CA-C-N 113.443 -1.708 . . . . 0.0 111.472 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -74.46 153.78 39.01 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-O 121.953 0.882 . . . . 0.0 112.476 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' B' ' 30' ' ' ASP . 0.0 OUTLIER -135.0 137.86 43.43 Favored 'General case' 1 N--CA 1.379 -4.022 0 N-CA-C 104.678 -2.342 . . . . 0.0 104.678 175.239 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--N 1.284 -2.272 0 O-C-N 124.954 1.409 . . . . 0.0 108.445 -164.387 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 . . . . . 0 CA--C 1.494 -1.193 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -136.78 178.7 6.87 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -84.21 104.09 13.96 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 8.6 p -82.73 -31.72 9.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 60.53 102.6 0.02 OUTLIER 'General case' 0 C--O 1.245 0.855 0 C-N-CA 125.246 1.418 . . . . 0.0 112.825 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -130.57 162.3 29.62 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 174.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -10' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' B' ' 50' ' ' GLU . 19.7 m80 -89.49 154.0 20.36 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 74.5 m80 60.32 76.74 0.35 Allowed 'General case' 0 C--O 1.244 0.804 0 O-C-N 124.183 0.927 . . . . 0.0 112.192 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -71.65 124.06 23.9 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -128.63 132.43 48.13 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-O 121.161 0.505 . . . . 0.0 110.953 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 83.3 mtp -95.15 -4.13 46.62 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.036 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' SER . . . . . 0.429 ' HB3' ' HB2' ' A' ' -2' ' ' ASP . 21.9 m -79.3 73.63 5.92 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.367 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -84.91 -38.54 19.26 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.987 0.899 . . . . 0.0 109.467 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -104.54 -37.06 7.29 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.82 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' -5' ' ' SER . 5.6 m-20 -55.26 -44.59 75.72 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.925 1.29 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -123.29 -170.5 2.13 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt 55.41 33.66 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.253 1.021 . . . . 0.0 112.74 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -42.56 -67.71 0.86 Allowed Glycine 0 N--CA 1.476 1.349 0 O-C-N 124.307 1.004 . . . . 0.0 113.56 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 61.2 mt -132.8 117.91 31.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 173.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -95.1 101.35 13.09 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 122.303 1.049 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 m -106.01 -164.01 0.98 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 113.955 -1.475 . . . . 0.0 110.461 -176.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -157.76 171.99 19.31 Favored 'General case' 0 N--CA 1.423 -1.813 0 CA-C-O 120.81 0.338 . . . . 0.0 110.268 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.6 t -115.93 118.14 57.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -113.75 173.41 6.44 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.637 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -102.94 116.56 32.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.552 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -109.12 98.38 7.84 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.98 -129.07 12.44 Favored Glycine 0 N--CA 1.424 -2.103 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -174.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -95.99 13.68 26.18 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-N 117.45 0.625 . . . . 0.0 110.548 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 m -123.43 127.46 25.56 Favored Pre-proline 0 N--CA 1.404 -2.76 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.591 -170.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -61.61 125.25 16.29 Favored 'Trans proline' 0 N--CA 1.44 -1.66 0 C-N-CA 122.0 1.8 . . . . 0.0 109.181 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -123.47 139.72 53.73 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-O 120.931 0.396 . . . . 0.0 110.802 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' B' ' 14' ' ' ALA . 92.4 t -104.63 130.05 56.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -83.05 107.66 15.79 Favored 'General case' 0 N--CA 1.436 -1.133 0 O-C-N 123.63 0.582 . . . . 0.0 110.53 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.5 mm -87.96 126.82 59.94 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -62.96 132.56 37.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 121.601 1.534 . . . . 0.0 110.499 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.09 68.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -57.93 -39.93 79.21 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.083 0.953 . . . . 0.0 110.414 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.98 -33.85 44.7 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.919 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.0 mmm -55.32 -46.55 76.31 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.677 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.21 -36.6 79.78 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.99 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.78 69.21 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.16 0.505 . . . . 0.0 112.204 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 81.0 mt -99.32 -8.36 25.0 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.273 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.4 t30 59.93 66.94 0.92 Allowed 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 125.88 1.672 . . . . 0.0 113.531 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -130.24 171.53 12.79 Favored 'General case' 0 N--CA 1.406 -2.65 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.285 172.744 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -137.78 -175.24 4.02 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.69 139.46 19.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.306 0.574 . . . . 0.0 110.11 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 64.09 50.38 2.47 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 126.367 1.867 . . . . 0.0 109.556 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -110.32 132.83 53.83 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 170.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.4 tt0 -83.37 132.89 34.97 Favored 'General case' 0 N--CA 1.414 -2.261 0 O-C-N 123.56 0.537 . . . . 0.0 110.0 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.0 m -129.78 157.11 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.162 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 38.1 mtmt -93.27 139.15 30.95 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.636 176.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 11.4 mm -115.57 99.33 8.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 171.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -104.54 136.6 43.8 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -94.4 125.95 39.36 Favored 'General case' 0 N--CA 1.388 -3.557 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 45.1 t -148.06 132.3 9.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 57.3 25.03 10.67 Favored 'General case' 0 N--CA 1.499 2.001 0 C-N-CA 123.814 0.846 . . . . 0.0 112.792 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.56 17.68 79.7 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.173 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 12.8 ptpt -129.76 166.25 20.26 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 117.889 0.844 . . . . 0.0 109.412 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt -93.94 116.79 29.27 Favored 'General case' 0 CA--C 1.48 -1.72 0 CA-C-O 121.941 0.877 . . . . 0.0 109.269 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.9 119.97 52.06 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.965 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.65 122.49 69.58 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.978 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.61 149.91 74.87 Favored Pre-proline 0 C--N 1.287 -2.121 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.13 170.02 12.46 Favored 'Trans proline' 0 N--CA 1.409 -3.472 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 33' ' ' VAL . 25.4 t -107.05 116.84 51.66 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.89 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -73.03 126.2 29.42 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.696 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -90.57 96.18 10.52 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--N 1.28 -2.43 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 179.608 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.495 -1.169 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -148.81 177.31 9.64 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -85.19 97.83 10.13 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.08 -31.18 18.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 60.61 101.14 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.812 1.645 . . . . 0.0 112.58 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -130.17 162.44 28.87 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -90.18 151.57 21.5 Favored 'General case' 0 C--N 1.279 -2.482 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 64.8 m80 64.51 79.87 0.24 Allowed 'General case' 0 C--N 1.309 -1.17 0 O-C-N 124.616 1.198 . . . . 0.0 112.284 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -75.31 119.04 18.87 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 175.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -125.54 134.87 51.83 Favored 'General case' 0 C--N 1.28 -2.454 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.697 -173.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 81.9 mtp -101.99 6.28 41.12 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.937 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 12.1 m -84.74 49.04 1.63 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.144 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.27 -42.93 99.77 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -107.05 -29.39 9.43 Favored 'General case' 0 C--N 1.288 -2.087 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.828 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.36 -49.94 75.87 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.895 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -120.12 -169.86 1.86 Allowed 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt 55.47 35.19 24.56 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.674 0.79 . . . . 0.0 112.11 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -46.59 -66.5 1.73 Allowed Glycine 0 N--CA 1.471 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 112.895 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 61.8 mt -132.42 110.86 16.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 173.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -86.73 113.08 22.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.864 0.84 . . . . 0.0 108.759 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 57.6 m -118.98 -166.17 1.22 Allowed 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.642 -175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.5 p -156.98 170.87 21.54 Favored 'General case' 0 N--CA 1.417 -2.083 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 90.6 t -115.28 122.95 70.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -118.26 175.11 5.85 Favored 'General case' 0 C--N 1.274 -2.676 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.838 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -103.81 118.57 37.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.923 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -113.2 99.27 7.69 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.71 -129.4 12.01 Favored Glycine 0 N--CA 1.433 -1.532 0 N-CA-C 107.985 -2.046 . . . . 0.0 107.985 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -97.42 14.61 25.72 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.293 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -122.51 128.03 25.6 Favored Pre-proline 0 N--CA 1.404 -2.746 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.69 -171.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.63 124.44 14.61 Favored 'Trans proline' 0 N--CA 1.442 -1.551 0 C-N-CA 122.265 1.977 . . . . 0.0 109.417 171.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -121.67 140.09 52.72 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-O 120.982 0.42 . . . . 0.0 110.841 -176.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 85.7 t -106.47 129.5 59.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.94 113.12 17.86 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 123.754 0.659 . . . . 0.0 109.946 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.94 124.93 54.9 Favored Pre-proline 0 C--N 1.302 -1.48 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.4 129.01 26.59 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.769 1.646 . . . . 0.0 110.488 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.94 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.071 0.549 . . . . 0.0 111.277 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -56.67 -38.53 72.36 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.757 0.823 . . . . 0.0 110.66 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.74 -34.12 40.23 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.082 0.467 . . . . 0.0 110.853 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 83.4 mmm -55.22 -46.77 75.95 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.524 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.4 -38.46 87.54 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.161 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.77 -32.26 70.65 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.653 0.739 . . . . 0.0 112.163 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.444 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 76.0 mt -100.02 -2.5 34.3 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.493 0.663 . . . . 0.0 110.147 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 55.38 66.04 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 125.746 1.618 . . . . 0.0 113.734 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -130.44 164.15 25.4 Favored 'General case' 0 N--CA 1.4 -2.937 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.089 172.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -131.23 -176.21 3.94 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.71 139.43 20.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.278 0.561 . . . . 0.0 110.473 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.8 46.03 3.14 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 126.505 1.922 . . . . 0.0 110.657 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -104.14 130.62 51.88 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -81.33 130.7 35.14 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.504 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.4 m -130.97 153.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 40.1 mtmt -90.75 141.27 28.97 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.963 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 12.1 mm -116.77 98.7 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 171.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.12 135.83 44.87 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.33 125.94 38.19 Favored 'General case' 0 N--CA 1.384 -3.735 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.468 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 32.2 t -146.87 132.98 13.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -177.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 57.07 24.8 10.05 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.041 0.936 . . . . 0.0 112.571 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.65 16.96 78.42 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.792 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 13.5 ptpt -130.06 168.31 16.94 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 117.514 0.657 . . . . 0.0 109.447 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -95.15 115.02 26.88 Favored 'General case' 0 CA--C 1.483 -1.615 0 CA-C-O 121.806 0.812 . . . . 0.0 109.7 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.4 117.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 114.189 -1.369 . . . . 0.0 107.971 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.9 mt -117.23 122.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.728 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.79 151.6 79.11 Favored Pre-proline 0 C--N 1.279 -2.498 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.34 170.32 11.98 Favored 'Trans proline' 0 N--CA 1.406 -3.671 0 N-CA-C 108.87 -1.242 . . . . 0.0 108.87 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' B' ' 33' ' ' VAL . 37.1 t -106.86 119.45 56.45 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.999 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -75.51 127.02 32.18 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -92.46 96.07 10.02 Favored 'General case' 0 N--CA 1.416 -2.159 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' -10' ' ' HIS . 40.1 mt-10 . . . . . 0 C--N 1.281 -2.402 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 CA--C 1.51 -0.579 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -103.44 -41.36 6.03 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.123 0.487 . . . . 0.0 109.709 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -93.53 87.31 5.49 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -174.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 35.7 m -91.43 -8.76 10.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -82.84 62.69 6.56 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.77 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -102.08 142.94 32.56 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.965 174.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -89.56 -24.21 21.79 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.699 0.762 . . . . 0.0 109.275 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -104.49 103.34 13.02 Favored 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -83.97 86.44 7.18 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.412 0.625 . . . . 0.0 109.961 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -128.59 0.56 5.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 24.1 ptm -79.03 102.85 8.59 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.796 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 49.9 m -137.78 -54.45 0.66 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.39 172.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' -1' ' ' ASP . 25.1 t70 -83.12 -15.45 50.7 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.829 0.823 . . . . 0.0 109.814 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.41 -48.41 81.87 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.491 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -99.64 -41.95 7.1 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.674 -175.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' -4' ' ' ASP . 31.0 t70 -119.62 138.7 53.07 Favored 'General case' 0 C--N 1.307 -1.244 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.407 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -122.17 34.72 5.08 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.637 0.732 . . . . 0.0 110.29 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 114.18 100.22 2.36 Favored Glycine 0 N--CA 1.419 -2.453 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.541 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 78.5 mt -74.47 126.94 35.93 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.9 123.94 48.78 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 m -137.6 -166.3 1.92 Allowed 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 59.8 p -148.82 151.36 34.63 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 118.205 0.457 . . . . 0.0 110.336 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.63 117.68 21.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 71.6 mmtt -108.93 170.05 8.29 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -100.67 122.56 43.54 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -112.53 95.95 5.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.79 -124.57 8.66 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -101.02 20.43 15.56 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -134.49 137.47 27.84 Favored Pre-proline 0 N--CA 1.417 -2.109 0 O-C-N 121.698 -0.626 . . . . 0.0 110.294 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 23.3 Cg_endo -68.87 129.75 19.13 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.864 2.376 . . . . 0.0 111.091 174.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.61 140.69 49.47 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.86 128.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -74.69 132.81 41.97 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.442 0.464 . . . . 0.0 110.914 178.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mm -98.7 129.92 28.97 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -61.16 131.28 35.91 Favored 'Trans proline' 0 C--O 1.251 1.165 0 C-N-CA 121.918 1.746 . . . . 0.0 111.474 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.72 66.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.111 0.564 . . . . 0.0 110.943 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -57.05 -42.98 81.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.235 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.04 -33.37 57.35 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.305 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.3 mmm -51.31 -53.0 40.17 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.629 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.91 -32.61 71.01 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.337 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.59 71.79 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.646 0.736 . . . . 0.0 110.829 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -92.82 -10.16 37.81 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.714 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 64.22 27.09 13.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.595 1.158 . . . . 0.0 111.362 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.93 178.05 5.89 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.592 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 29.5 p-10 -144.03 -175.95 4.81 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.0 mm -77.77 136.18 24.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 79.92 14.3 0.92 Allowed 'General case' 0 CA--C 1.483 -1.618 0 C-N-CA 125.645 1.578 . . . . 0.0 111.199 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.592 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.8 t70 -76.42 115.83 16.53 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' SER . 27.2 tt0 -75.14 132.44 41.2 Favored 'General case' 0 N--CA 1.405 -2.677 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.0 m -124.97 158.56 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 C-N-CA 120.106 -0.638 . . . . 0.0 112.201 -174.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HG3' HG22 ' A' ' 47' ' ' VAL . 22.3 mtpp -94.45 109.79 21.63 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.198 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.18 98.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 170.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.41 122.59 40.64 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.77 128.51 45.86 Favored 'General case' 0 N--CA 1.389 -3.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.74 108.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.22 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 66.21 21.21 11.1 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.885 0.874 . . . . 0.0 111.496 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' HD21 ' B' ' 25' ' ' LEU . . . 95.57 -14.96 64.1 Favored Glycine 0 C--N 1.303 -1.298 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.311 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -86.08 140.13 30.52 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 7.0 mp -101.12 140.08 35.92 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.388 0.613 . . . . 0.0 110.531 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -118.28 137.4 52.36 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 44.2 mm -113.51 107.57 23.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-O 121.869 0.842 . . . . 0.0 110.023 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -131.91 136.37 28.19 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -85.47 169.99 9.36 Favored 'Trans proline' 0 N--CA 1.407 -3.607 0 CA-C-N 120.251 1.125 . . . . 0.0 109.827 -176.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 34' ' ' LYS . 44.1 t -95.2 93.23 3.71 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.679 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -87.61 130.14 34.87 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 113.755 -1.566 . . . . 0.0 108.323 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 140.77 43.71 Favored 'General case' 1 N--CA 1.366 -4.643 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 178.137 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 . . . . . 0 C--N 1.26 -3.315 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.389 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -100.22 -39.42 8.05 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.611 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -90.73 73.7 6.66 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 122.254 1.026 . . . . 0.0 113.025 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.93 -3.38 8.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 122.376 1.084 . . . . 0.0 108.554 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -90.37 74.19 6.95 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.197 -1.365 . . . . 0.0 111.682 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -113.1 140.61 47.73 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.625 175.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -86.06 -29.77 23.15 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -101.86 104.36 15.09 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -83.1 80.09 9.16 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.838 0.828 . . . . 0.0 111.297 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -122.52 9.74 9.69 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 24.6 ptm -89.26 95.97 10.52 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.934 0.873 . . . . 0.0 111.634 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 49.2 m -130.06 -51.12 1.12 Allowed 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.777 -0.577 . . . . 0.0 109.904 172.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -4' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' B' ' -1' ' ' ASP . 14.7 t70 -84.73 -14.59 47.85 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 124.053 0.941 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.23 -51.5 69.69 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.173 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -102.25 -33.26 9.68 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.349 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' -1' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' B' ' -4' ' ' ASP . 33.3 t70 -124.55 138.4 54.33 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.453 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -121.0 27.33 8.53 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-O 121.306 0.574 . . . . 0.0 110.617 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 120.03 99.78 1.79 Allowed Glycine 0 N--CA 1.423 -2.167 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.151 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 80.2 mt -72.86 128.38 35.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.58 128.5 53.64 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.259 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 75.4 m -142.55 -166.65 2.32 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.496 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 20.4 p -147.74 151.64 36.42 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.52 115.95 23.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 71.8 mmtt -107.19 172.76 6.65 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -104.28 120.37 41.03 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.123 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -109.03 95.05 5.38 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -124.08 8.69 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -101.7 21.4 14.52 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 117.181 0.491 . . . . 0.0 111.599 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.5 m -139.31 138.39 20.56 Favored Pre-proline 0 N--CA 1.415 -2.195 0 O-C-N 121.48 -0.763 . . . . 0.0 110.751 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.69 132.79 29.75 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 123.179 2.586 . . . . 0.0 111.567 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.1 140.05 47.44 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -110.0 129.96 64.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -76.17 127.88 33.82 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.409 0.443 . . . . 0.0 111.443 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.42 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.3 mm -94.98 127.94 41.02 Favored Pre-proline 0 C--N 1.307 -1.282 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 175.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.75 128.03 22.16 Favored 'Trans proline' 0 C--O 1.251 1.15 0 C-N-CA 121.953 1.768 . . . . 0.0 111.408 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.68 -30.43 43.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.918 0.887 . . . . 0.0 111.794 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.8 m -58.39 -39.57 80.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.769 0.827 . . . . 0.0 110.652 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.24 -33.41 38.01 Favored 'General case' 0 CA--C 1.473 -1.983 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.0 mmm -50.62 -52.62 37.75 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.272 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -67.9 -33.81 75.42 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.531 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.63 66.97 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.325 0.583 . . . . 0.0 111.339 -173.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 40' ' ' GLY . 85.5 mt -93.69 -6.04 47.17 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.596 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 62.58 28.16 16.54 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.369 1.067 . . . . 0.0 111.804 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -97.23 177.62 5.51 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.045 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 27.5 p-10 -142.9 -173.55 3.93 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.3 mm -79.43 139.64 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 175.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 76.57 14.93 2.18 Favored 'General case' 0 CA--C 1.478 -1.811 0 C-N-CA 125.445 1.498 . . . . 0.0 111.283 -173.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 3.6 t70 -76.39 116.48 17.12 Favored 'General case' 0 CA--C 1.478 -1.799 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.95 131.91 39.9 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.83 154.8 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.383 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' B' ' 47' ' ' VAL . 22.4 mtpp -90.26 109.08 20.18 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.926 177.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.3 mp -91.26 100.28 10.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.91 122.55 41.17 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -101.06 126.83 47.77 Favored 'General case' 0 N--CA 1.384 -3.727 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.6 105.83 2.43 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.464 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.554 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 65.99 21.39 11.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.94 0.896 . . . . 0.0 111.806 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -8.49 71.37 Favored Glycine 0 C--N 1.299 -1.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.527 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -92.07 140.8 29.28 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 7.0 mp -101.16 145.34 28.92 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.318 0.58 . . . . 0.0 110.498 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.5 mm -124.14 136.33 60.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 41.3 mm -112.15 107.78 23.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 CA-C-O 121.894 0.854 . . . . 0.0 110.166 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -130.92 133.63 25.01 Favored Pre-proline 0 C--N 1.294 -1.84 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.7 169.32 9.34 Favored 'Trans proline' 0 N--CA 1.401 -3.931 0 C-N-CA 121.099 1.2 . . . . 0.0 109.676 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.441 HG22 ' HG3' ' B' ' 34' ' ' LYS . 43.2 t -95.34 94.05 4.13 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.909 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -89.69 132.8 34.98 Favored 'General case' 0 C--N 1.272 -2.8 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 142.75 44.14 Favored 'General case' 1 N--CA 1.367 -4.624 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.547 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--N 1.261 -3.254 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.228 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.509 -0.631 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -84.32 106.12 15.69 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -99.8 154.83 18.02 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 -177.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 18.8 m -112.46 126.94 69.91 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.715 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -78.67 -26.57 45.04 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -121.59 102.13 8.04 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 114.36 -1.291 . . . . 0.0 107.762 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -85.16 -70.05 0.61 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 56.57 -92.56 0.03 OUTLIER 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.297 0.998 . . . . 0.0 109.458 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 65.18 -60.07 0.25 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.561 1.544 . . . . 0.0 112.783 174.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -95.41 154.14 17.35 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 97.2 mmm -77.09 81.26 3.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.544 0.688 . . . . 0.0 109.79 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 8.9 m -114.29 -9.46 12.82 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.084 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -73.48 -35.75 65.72 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 122.31 1.052 . . . . 0.0 109.656 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.31 1.0 50.28 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.378 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.07 -22.67 61.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.511 0.672 . . . . 0.0 110.606 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.68 85.89 1.64 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -131.41 -9.08 3.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.969 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -91.78 -155.04 31.41 Favored Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.041 -1.076 . . . . 0.0 112.084 -173.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 38.6 mm -78.81 118.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -88.13 83.68 6.97 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -174.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -109.1 -167.88 1.27 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.506 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -152.46 148.42 27.4 Favored 'General case' 0 N--CA 1.407 -2.612 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.78 125.39 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.23 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -120.38 164.68 15.99 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -95.21 116.18 28.41 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.197 0.522 . . . . 0.0 111.436 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -105.05 95.04 5.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.46 -120.7 7.75 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.02 30.74 6.09 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 46.6 t -136.08 124.1 15.06 Favored Pre-proline 0 N--CA 1.423 -1.824 0 O-C-N 121.372 -0.83 . . . . 0.0 110.218 -174.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.612 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 18.3 Cg_endo -66.72 122.02 9.34 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.063 1.842 . . . . 0.0 109.899 172.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -122.08 141.65 51.17 Favored 'General case' 0 N--CA 1.422 -1.841 0 CA-C-O 121.117 0.484 . . . . 0.0 111.406 -175.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.11 127.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -79.0 125.17 29.03 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.602 0.564 . . . . 0.0 111.315 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.515 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 48.9 mm -98.3 135.58 21.22 Favored Pre-proline 0 C--N 1.305 -1.364 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.1 133.93 22.28 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.383 1.389 . . . . 0.0 109.618 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.02 67.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.477 0.655 . . . . 0.0 110.96 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -58.77 -41.03 85.62 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 123.681 0.792 . . . . 0.0 109.586 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 4.0 mm? -78.34 -33.35 49.16 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.192 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 82.0 mtp -51.83 -49.13 63.43 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 123.943 0.777 . . . . 0.0 109.688 173.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.8 -35.18 79.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.869 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -34.31 72.22 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.889 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 63.5 mt -94.14 -5.77 46.43 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.134 -178.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 66.49 18.59 10.84 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 126.097 1.759 . . . . 0.0 113.029 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.92 166.91 11.94 Favored 'General case' 0 N--CA 1.428 -1.536 0 O-C-N 122.312 -0.242 . . . . 0.0 110.957 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -131.79 -178.38 4.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.935 0.397 . . . . 0.0 111.012 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -76.85 140.46 17.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 172.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t70 71.21 23.34 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.775 1.23 . . . . 0.0 108.964 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -99.36 140.11 34.02 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.36 134.41 35.57 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.191 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.37 150.92 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 33.7 mtmt -96.19 129.13 43.57 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CG2' HD22 ' A' ' 42' ' ' LEU . 2.9 mp -99.71 98.24 6.8 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.628 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 165.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.85 130.9 44.73 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -89.62 130.57 35.9 Favored 'General case' 0 N--CA 1.403 -2.803 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.7 t -147.93 130.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.69 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 59.26 21.67 9.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 124.231 1.012 . . . . 0.0 113.353 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.03 21.33 79.94 Favored Glycine 0 C--N 1.301 -1.41 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.59 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 14.1 pttt -127.27 156.63 41.61 Favored 'General case' 0 C--O 1.249 1.042 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 176.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.429 HD22 ' CG2' ' A' ' 35' ' ' ILE . 45.0 mt -93.14 133.0 36.77 Favored 'General case' 0 CA--C 1.476 -1.874 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.937 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.457 HD12 HD12 ' B' ' 43' ' ' ILE . 32.6 mm -112.41 136.06 49.84 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.275 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.637 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 49.1 mm -107.49 107.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 36.8 tt0 -130.26 124.98 21.6 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.1 Cg_endo -82.62 170.71 12.68 Favored 'Trans proline' 0 N--CA 1.421 -2.786 0 C-N-CA 122.055 1.837 . . . . 0.0 111.373 -173.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.7 t -106.63 104.36 16.91 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.482 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD2' ' OE2' ' A' ' 50' ' ' GLU . 17.5 ptt180 -71.98 138.71 48.2 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 123.936 0.773 . . . . 0.0 111.351 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -84.84 95.5 9.02 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-O 122.064 0.935 . . . . 0.0 110.174 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' OE2' ' HD2' ' A' ' 48' ' ' ARG . 38.4 mt-10 . . . . . 0 C--N 1.294 -1.822 0 CA-C-N 112.635 -2.075 . . . . 0.0 107.339 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 CA--C 1.506 -0.732 0 N-CA-C 111.159 0.059 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -89.44 109.19 20.14 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 119.456 -0.897 . . . . 0.0 109.152 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -102.97 149.84 24.14 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.418 0.628 . . . . 0.0 111.512 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 22.1 m -109.44 120.12 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.493 175.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -71.05 -30.6 66.81 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -115.16 105.94 13.5 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -86.38 -66.91 0.85 Allowed 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 50.08 -94.39 0.03 OUTLIER 'General case' 0 C--O 1.241 0.657 0 O-C-N 124.721 1.263 . . . . 0.0 110.363 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 64.99 -55.73 0.3 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.835 1.654 . . . . 0.0 113.172 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -99.53 160.38 14.33 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 95.2 mmm -80.96 89.36 5.9 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 15.9 m -122.64 -13.85 7.87 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.224 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -69.64 -36.03 75.74 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.299 1.047 . . . . 0.0 109.906 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -86.21 0.01 54.71 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.605 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -74.87 -19.53 60.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.558 0.694 . . . . 0.0 110.321 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.94 83.68 3.48 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -129.48 -6.51 4.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.312 -170.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -91.84 -151.75 27.57 Favored Glycine 0 N--CA 1.436 -1.343 0 C-N-CA 119.578 -1.296 . . . . 0.0 112.574 -173.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 34.8 mm -81.83 119.71 31.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -89.79 83.46 6.21 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -174.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.4 m -106.89 -167.63 1.3 Allowed 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.602 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 147.35 24.58 Favored 'General case' 0 N--CA 1.406 -2.671 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.29 120.51 33.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -116.06 161.35 19.02 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.2 ttm180 -93.48 115.85 28.38 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -103.64 95.01 5.76 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.02 -120.08 7.08 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -105.56 20.59 18.64 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.727 0.775 . . . . 0.0 110.13 173.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -125.75 125.91 24.92 Favored Pre-proline 0 N--CA 1.419 -2.0 0 O-C-N 120.836 -1.165 . . . . 0.0 109.729 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.602 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 17.9 Cg_endo -68.05 124.85 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.148 1.899 . . . . 0.0 109.507 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -124.63 139.96 53.39 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.126 0.488 . . . . 0.0 111.765 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.23 128.67 63.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.2 121.49 26.68 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 123.734 0.646 . . . . 0.0 111.777 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.541 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.0 mm -94.82 134.69 24.6 Favored Pre-proline 0 C--N 1.303 -1.423 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.12 136.4 29.34 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 121.357 1.371 . . . . 0.0 110.037 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.196 0.522 . . . . 0.0 110.56 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -57.7 -43.97 85.52 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.945 0.878 . . . . 0.0 109.31 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 4.0 mm? -76.94 -32.75 57.56 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.612 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 83.1 mtp -52.62 -49.11 65.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 123.83 0.706 . . . . 0.0 109.702 173.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -67.68 -33.04 74.12 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.668 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.85 66.25 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.428 0.633 . . . . 0.0 110.731 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 21' ' ' LEU . 73.1 mt -95.35 -2.24 49.56 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.74 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 64.02 21.71 12.69 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.767 1.227 . . . . 0.0 112.819 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 pp -98.42 173.17 7.09 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 122.084 -0.385 . . . . 0.0 110.356 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -139.91 179.72 6.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.807 0.336 . . . . 0.0 110.965 -174.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -74.57 138.8 20.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 74.04 18.53 3.19 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.043 1.337 . . . . 0.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -93.9 141.93 27.96 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.95 131.67 35.35 Favored 'General case' 0 C--N 1.281 -2.404 0 C-N-CA 123.903 0.881 . . . . 0.0 109.438 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.17 150.18 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.073 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.5 ' HE3' ' HB2' ' B' ' 34' ' ' LYS . 36.3 mtmt -96.08 131.4 42.54 Favored 'General case' 0 N--CA 1.428 -1.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.823 175.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.439 HG22 HD22 ' B' ' 42' ' ' LEU . 3.1 mp -99.42 98.74 7.41 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.531 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 165.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -97.92 136.3 38.41 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -94.24 130.48 40.48 Favored 'General case' 0 N--CA 1.4 -2.948 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.634 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 51.4 t -147.8 127.67 4.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.417 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 61.68 22.12 12.7 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.215 1.006 . . . . 0.0 111.58 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.83 18.65 79.64 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.831 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 21.3 pttt -124.43 157.8 34.3 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.439 HD22 HG22 ' B' ' 35' ' ' ILE . 87.7 mt -91.76 131.96 36.75 Favored 'General case' 0 CA--C 1.477 -1.836 0 CA-C-O 121.692 0.758 . . . . 0.0 110.366 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.457 HD12 HD12 ' A' ' 43' ' ' ILE . 32.8 mm -112.78 136.57 48.65 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.239 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.089 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 49.0 mm -108.16 105.48 18.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 CA-C-O 121.762 0.792 . . . . 0.0 109.528 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 34.9 tt0 -128.28 124.91 23.16 Favored Pre-proline 0 N--CA 1.416 -2.134 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.6 Cg_endo -83.14 170.79 11.93 Favored 'Trans proline' 0 N--CA 1.415 -3.14 0 C-N-CA 121.866 1.711 . . . . 0.0 111.136 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 t -104.98 106.44 20.5 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.627 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -72.17 142.05 49.08 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 123.716 0.635 . . . . 0.0 110.731 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -89.12 95.51 10.34 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-O 121.852 0.834 . . . . 0.0 110.145 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--N 1.304 -1.396 0 C-N-CA 126.821 2.048 . . . . 0.0 106.886 178.779 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.494 -1.193 0 CA-C-O 120.872 0.367 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -94.16 154.76 17.41 Favored 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -113.7 18.58 17.38 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.831 0.824 . . . . 0.0 110.256 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 58.3 t -96.31 130.11 45.43 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.83 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -85.28 92.39 8.42 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 176.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -118.6 -0.01 11.44 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.565 0.697 . . . . 0.0 109.986 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -82.78 121.2 26.6 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -80.49 104.29 10.93 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -88.41 -23.16 23.39 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.339 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -100.73 -170.52 1.86 Allowed 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.84 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 26.6 mmt -94.37 27.59 2.88 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 122.277 -0.265 . . . . 0.0 111.202 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.8 m 59.04 40.38 22.25 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.176 0.989 . . . . 0.0 108.726 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.94 -30.39 67.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.905 -1.498 . . . . 0.0 114.164 -173.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.42 -25.07 29.27 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.285 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.1 -45.89 91.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.006 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -94.41 118.7 32.04 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' LYS . . . . . 0.451 ' HG2' ' CD ' ' B' ' 34' ' ' LYS . 64.1 mttp -121.01 86.16 2.53 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -56.16 -85.3 0.03 OUTLIER Glycine 0 C--N 1.315 -0.585 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.759 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.35 127.93 71.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -114.62 108.32 16.67 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.879 0.847 . . . . 0.0 111.26 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 38.5 m -120.1 -161.3 0.87 Allowed 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.918 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -148.39 149.19 31.32 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 118.395 0.543 . . . . 0.0 111.119 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.34 118.96 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.114 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -108.65 171.11 7.61 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -106.96 117.61 34.5 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.583 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -103.86 98.7 8.51 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.98 -120.52 8.7 Favored Glycine 0 N--CA 1.433 -1.523 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -107.6 26.17 10.6 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 117.153 0.476 . . . . 0.0 110.5 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 t -129.13 122.2 21.05 Favored Pre-proline 0 N--CA 1.402 -2.858 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HB2' ' HB ' ' B' ' 17' ' ' ILE . 8.4 Cg_exo -61.31 125.68 17.49 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 121.812 1.674 . . . . 0.0 108.726 170.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.555 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -128.13 136.93 51.83 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.027 0.441 . . . . 0.0 110.46 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.4 t -106.77 129.96 59.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -79.82 120.01 23.49 Favored 'General case' 0 N--CA 1.437 -1.086 0 O-C-N 123.717 0.636 . . . . 0.0 111.646 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' B' ' 13' ' ' PRO . 36.9 mm -97.98 128.01 35.19 Favored Pre-proline 0 C--N 1.301 -1.542 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.98 134.52 50.19 Favored 'Trans proline' 0 C--O 1.249 1.051 0 C-N-CA 121.416 1.411 . . . . 0.0 110.203 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.93 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.358 0.599 . . . . 0.0 110.222 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 m -59.69 -43.42 94.04 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.855 0.862 . . . . 0.0 110.099 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.3 -34.89 63.64 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 120.934 0.397 . . . . 0.0 111.314 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 86.0 mmm -52.39 -53.61 42.68 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.322 173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.71 -36.22 80.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.515 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.7 -28.23 61.63 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.037 -175.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 mt -104.05 5.02 35.0 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.148 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 68.65 23.16 7.24 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.348 1.059 . . . . 0.0 113.655 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.67 154.18 20.8 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-O 121.408 0.623 . . . . 0.0 110.455 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -123.85 -173.65 2.8 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.3 mm -75.68 139.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.249 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 81.55 18.21 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.792 2.037 . . . . 0.0 111.212 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.52 131.95 34.28 Favored 'General case' 0 C--O 1.252 1.216 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' SER . 37.1 tt0 -69.74 136.53 51.06 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 124.135 0.897 . . . . 0.0 110.729 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 2.8 m -133.06 150.01 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 121.474 0.654 . . . . 0.0 110.785 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' B' ' 0' ' ' LYS . 7.2 mtmp? -95.47 125.15 39.88 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.614 175.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -102.54 104.64 16.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 172.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 40.3 m-20 -112.99 133.09 55.11 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.16 127.55 35.74 Favored 'General case' 0 N--CA 1.385 -3.703 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -143.4 118.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.074 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.38 22.35 10.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.61 10.94 56.28 Favored Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.255 -0.974 . . . . 0.0 113.21 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.65 160.41 31.7 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -96.76 113.93 25.53 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.391 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.5 mp -95.4 116.09 36.07 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.087 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.62 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.19 105.02 17.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.812 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.218 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 44.4 tt0 -119.67 118.36 32.09 Favored Pre-proline 0 C--N 1.307 -1.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.78 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 5.6 Cg_endo -56.29 148.64 59.82 Favored 'Trans proline' 0 N--CA 1.436 -1.875 0 C-N-CA 124.139 3.226 . . . . 0.0 110.652 173.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.43 112.67 37.79 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.934 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.286 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -81.28 140.84 34.6 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.436 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -97.68 100.17 11.55 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.084 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.284 -2.242 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 174.538 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 CA--C 1.494 -1.198 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -106.11 161.15 14.76 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -119.7 15.91 12.74 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.821 0.819 . . . . 0.0 110.08 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 61.5 t -93.33 126.81 45.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.445 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -83.44 85.47 7.24 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 121.346 0.594 . . . . 0.0 109.584 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -107.25 -14.15 14.96 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.129 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -72.36 119.16 16.18 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.255 0.55 . . . . 0.0 110.725 -173.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -79.38 98.96 6.95 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 122.29 1.043 . . . . 0.0 112.19 -177.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -89.01 -13.25 39.24 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.237 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -109.73 -177.29 3.23 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 24.8 mmt -91.51 33.99 0.98 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 117.851 0.296 . . . . 0.0 111.532 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 38.5 m 54.89 41.74 31.66 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -60.37 -27.81 67.71 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.707 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.02 -27.55 35.76 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.426 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.23 -43.6 95.91 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.027 0.441 . . . . 0.0 111.459 -176.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -98.71 120.27 38.85 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.569 0.699 . . . . 0.0 110.544 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 0' ' ' LYS . . . . . 0.44 ' HG2' ' CD ' ' A' ' 34' ' ' LYS . 64.3 mttp -124.41 85.33 2.4 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -56.54 -67.05 2.42 Favored Glycine 0 C--N 1.307 -1.07 0 CA-C-N 114.931 -1.032 . . . . 0.0 112.549 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 86.1 mt -133.24 129.05 56.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 10.0 p80 -116.47 107.09 14.33 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.101 0.953 . . . . 0.0 111.81 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 53.0 m -115.92 -159.48 0.72 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.243 -1.344 . . . . 0.0 108.824 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.442 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 10.5 p -148.86 148.81 30.32 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -78.01 118.85 25.74 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.223 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.9 mmtt -107.37 172.88 6.58 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -107.77 118.79 37.67 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.437 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -105.86 96.93 6.83 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.56 -122.55 9.49 Favored Glycine 0 N--CA 1.434 -1.463 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -100.71 15.75 27.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 117.343 0.572 . . . . 0.0 111.104 174.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -124.14 126.25 25.61 Favored Pre-proline 0 N--CA 1.404 -2.736 0 O-C-N 121.705 -0.622 . . . . 0.0 109.786 -172.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HB2' ' HB ' ' A' ' 17' ' ' ILE . 9.8 Cg_exo -62.1 129.73 28.2 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.046 1.83 . . . . 0.0 108.786 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.555 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -130.71 138.08 49.83 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -177.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.17 130.84 57.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -78.84 123.24 27.03 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.727 0.642 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 13' ' ' PRO . 42.1 mm -102.44 128.22 28.72 Favored Pre-proline 0 C--N 1.301 -1.531 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -62.73 134.27 46.32 Favored 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 121.275 1.316 . . . . 0.0 110.257 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.71 68.13 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.958 0.503 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.2 m -60.91 -40.48 93.33 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.402 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.95 -35.17 59.78 Favored 'General case' 0 CA--C 1.48 -1.748 0 CA-C-O 120.847 0.356 . . . . 0.0 110.943 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -52.17 -53.05 47.84 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.387 173.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.1 -33.67 76.29 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.396 177.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.6 66.21 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.386 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 mt -102.78 9.21 39.17 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.558 -176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 65.78 19.35 11.35 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.38 154.02 19.47 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.493 179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -123.14 -178.66 4.03 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -68.38 142.19 16.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.51 23.93 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 126.111 1.764 . . . . 0.0 110.743 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -92.05 131.58 37.22 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 4' ' ' SER . 38.6 tt0 -70.68 134.91 47.94 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 124.234 0.958 . . . . 0.0 110.16 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.56 147.99 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.904 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.451 ' CD ' ' HG2' ' A' ' 0' ' ' LYS . 6.9 mtmp? -92.8 129.52 38.69 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.7 mp -106.46 104.08 16.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.508 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 39.3 m-20 -113.43 128.71 56.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.95 126.28 33.99 Favored 'General case' 0 N--CA 1.392 -3.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -142.4 119.97 7.39 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.71 32.0 18.52 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 12.99 64.9 Favored Glycine 0 C--N 1.307 -1.038 0 C-N-CA 120.84 -0.695 . . . . 0.0 114.171 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.8 159.81 37.43 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.72 113.43 25.07 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.301 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.5 mp -94.74 116.17 35.4 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.177 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.855 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.97 105.53 18.87 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.175 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.461 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 48.8 tt0 -121.92 119.05 29.06 Favored Pre-proline 0 C--N 1.305 -1.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.582 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.1 Cg_endo -55.83 150.72 44.12 Favored 'Trans proline' 0 N--CA 1.436 -1.865 0 C-N-CA 124.118 3.212 . . . . 0.0 110.669 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.45 117.24 49.7 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.665 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -86.21 135.51 33.54 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.431 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -91.56 100.57 13.29 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.341 -177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--N 1.265 -3.081 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 CA--C 1.506 -0.745 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -134.91 114.06 12.15 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -84.86 95.86 9.14 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 35.2 m -60.63 130.87 25.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 114.68 -1.146 . . . . 0.0 112.294 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -83.92 87.52 7.11 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -130.64 97.06 4.26 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 35.7 m170 63.1 21.26 12.77 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.357 1.063 . . . . 0.0 110.37 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -76.31 99.43 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -143.18 119.05 10.57 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.359 0.599 . . . . 0.0 111.016 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -106.83 144.03 34.07 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 63.2 mtt -83.33 67.82 9.42 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.356 1.074 . . . . 0.0 111.884 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 20.4 m -73.19 -11.31 60.48 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 114.495 -1.229 . . . . 0.0 110.568 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -61.64 -30.41 70.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.493 0.717 . . . . 0.0 112.031 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -82.57 -39.05 22.81 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.616 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.64 -13.25 59.2 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.145 0.498 . . . . 0.0 111.318 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.23 82.92 0.74 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.448 1.118 . . . . 0.0 109.826 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -123.44 -1.72 8.56 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 113.341 -1.754 . . . . 0.0 108.577 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 35' ' ' ILE . . . -82.66 87.73 1.46 Allowed Glycine 0 CA--C 1.477 -2.295 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.37 123.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 CA-C-N 114.713 -0.744 . . . . 0.0 110.043 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -77.2 124.4 27.78 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 122.097 0.951 . . . . 0.0 111.319 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m -144.48 -168.05 2.8 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.246 175.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -150.96 154.53 37.28 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.69 107.87 10.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -105.85 166.21 10.64 Favored 'General case' 0 N--CA 1.412 -2.332 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -98.68 110.82 23.36 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 120.889 0.376 . . . . 0.0 111.336 -177.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -97.43 93.74 6.64 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.94 -118.28 4.93 Favored Glycine 0 N--CA 1.428 -1.879 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -111.11 26.97 10.13 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 116.944 0.372 . . . . 0.0 110.692 174.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -141.46 130.9 12.64 Favored Pre-proline 0 N--CA 1.43 -1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 110.194 -176.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.719 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 17.5 Cg_endo -62.2 131.26 33.65 Favored 'Trans proline' 0 C--O 1.24 0.587 0 C-N-CA 123.074 2.516 . . . . 0.0 112.122 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.36 41.46 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.909 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.98 137.52 43.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -78.67 130.08 35.44 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.834 0.708 . . . . 0.0 111.779 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.613 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -106.85 128.63 25.75 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 174.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.5 142.96 73.88 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.716 1.611 . . . . 0.0 110.815 176.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -63.25 -28.03 69.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.097 0.475 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 m -59.38 -38.5 80.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.399 0.619 . . . . 0.0 110.438 175.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.96 -32.78 59.68 Favored 'General case' 0 CA--C 1.477 -1.854 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.021 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.711 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 84.7 mtp -54.98 -46.84 75.14 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.781 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 47.3 mt-30 -71.43 -25.74 62.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.342 -178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.67 -26.31 59.77 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.37 0.605 . . . . 0.0 110.473 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -110.45 4.45 20.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 58.29 23.7 10.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.702 1.201 . . . . 0.0 112.763 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -99.4 155.82 17.34 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-O 120.884 0.373 . . . . 0.0 110.432 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -124.4 -172.92 2.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.089 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.6 mm -76.43 142.73 13.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 77.9 13.03 1.76 Allowed 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.57 1.148 . . . . 0.0 112.58 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -83.76 125.65 32.12 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 143.7 43.47 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 123.657 0.598 . . . . 0.0 110.286 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.467 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.9 m -136.18 152.9 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.294 0 CA-C-O 121.41 0.624 . . . . 0.0 111.356 -175.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -103.26 119.34 38.68 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 113.91 -1.495 . . . . 0.0 109.97 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.45 97.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.84 128.78 45.14 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.5 124.67 35.18 Favored 'General case' 0 N--CA 1.385 -3.712 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 54.6 t -142.19 119.62 7.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.852 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.292 -174.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 65.51 22.69 11.83 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.402 1.096 . . . . 0.0 110.022 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.34 31.2 63.77 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.053 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG3' ' OE2' ' B' ' 45' ' ' GLU . 22.5 ttmm -128.88 145.01 51.33 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -89.04 115.44 26.59 Favored 'General case' 0 CA--C 1.485 -1.539 0 CA-C-O 121.745 0.783 . . . . 0.0 110.532 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.47 109.24 25.94 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.549 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.209 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.488 HD13 HD13 ' B' ' 44' ' ' ILE . 1.9 mp -101.89 106.86 20.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.788 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.727 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' OE2' ' HG3' ' B' ' 41' ' ' LYS . 26.1 mm-40 -111.98 141.96 25.86 Favored Pre-proline 0 C--N 1.287 -2.134 0 CA-C-N 113.857 -1.519 . . . . 0.0 107.813 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -85.35 169.13 9.89 Favored 'Trans proline' 0 N--CA 1.407 -3.563 0 N-CA-C 107.208 -1.882 . . . . 0.0 107.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 33' ' ' VAL . 18.0 t -107.84 105.56 19.02 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.621 0 C-N-CA 117.445 -1.702 . . . . 0.0 109.091 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -73.46 140.32 46.41 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 175.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -82.28 106.75 14.42 Favored 'General case' 0 N--CA 1.399 -2.983 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -168.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.291 -1.974 0 CA-C-N 112.025 -2.352 . . . . 0.0 109.564 -175.321 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 CA--C 1.497 -1.083 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -137.11 109.39 7.31 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -81.73 96.67 7.63 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.8 136.99 22.84 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.721 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -91.68 90.5 7.58 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -135.57 95.81 3.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 36.5 m80 63.88 24.57 13.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.84 0.856 . . . . 0.0 110.194 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -83.52 99.66 10.27 Favored 'General case' 0 N--CA 1.432 -1.351 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -144.29 121.88 11.79 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.415 -177.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -107.14 145.47 32.48 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 64.0 mtt -84.55 72.16 10.68 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 122.235 1.017 . . . . 0.0 110.716 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 16.6 m -80.59 -12.53 59.5 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-N 114.029 -1.442 . . . . 0.0 110.226 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -60.71 -28.04 68.35 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.318 0.58 . . . . 0.0 111.343 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -80.41 -41.23 24.95 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.598 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.78 -7.5 59.61 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.883 0.849 . . . . 0.0 110.631 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -74.99 83.78 2.25 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.311 1.053 . . . . 0.0 109.131 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -127.09 0.16 6.5 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 113.206 -1.815 . . . . 0.0 108.463 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -86.55 83.32 1.6 Allowed Glycine 0 CA--C 1.481 -2.068 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -177.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.53 122.89 5.42 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 C-N-CA 124.081 0.952 . . . . 0.0 110.679 -176.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -78.19 120.61 23.23 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.173 0.987 . . . . 0.0 112.019 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.6 m -140.13 -165.57 1.93 Allowed 'General case' 0 C--N 1.268 -2.978 0 CA-C-N 114.277 -1.329 . . . . 0.0 107.598 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -152.12 154.46 35.93 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.62 109.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -106.12 167.43 9.81 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' B' ' 10' ' ' GLY . 45.4 ttm180 -102.45 106.81 17.61 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 -176.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -91.77 94.24 9.25 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' B' ' 8' ' ' ARG . . . 75.64 -120.07 5.94 Favored Glycine 0 N--CA 1.425 -2.042 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 -175.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -109.23 24.55 12.94 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.063 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -136.03 129.57 18.12 Favored Pre-proline 0 N--CA 1.427 -1.614 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.711 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 12.1 Cg_endo -62.85 131.25 32.26 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 122.848 2.366 . . . . 0.0 111.691 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.47 144.99 40.31 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.134 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.14 135.77 50.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -76.93 132.31 38.99 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 123.721 0.638 . . . . 0.0 111.595 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.3 mp -106.66 130.24 23.21 Favored Pre-proline 0 C--N 1.297 -1.698 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.32 139.06 53.28 Favored 'Trans proline' 0 C--O 1.249 1.066 0 C-N-CA 121.912 1.741 . . . . 0.0 110.866 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.04 66.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.256 0.551 . . . . 0.0 111.177 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -61.9 -38.4 88.25 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.98 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.65 -32.25 60.12 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.355 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.719 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.9 mtp -54.67 -47.99 72.91 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.093 173.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -70.58 -25.05 62.89 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.44 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.97 64.39 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.35 2.87 26.93 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.486 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 58.54 25.35 13.0 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.849 1.26 . . . . 0.0 113.219 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 pp -101.84 156.51 17.47 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -126.62 -169.91 2.11 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.29 144.77 11.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 75.18 14.31 3.08 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 124.737 1.215 . . . . 0.0 111.86 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -87.13 128.83 35.11 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.8 143.8 39.56 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 123.578 0.549 . . . . 0.0 110.916 -176.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.46 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.6 m -137.39 151.36 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.797 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -101.72 119.37 38.68 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.971 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.414 ' O ' ' HA2' ' A' ' 1' ' ' GLY . 3.7 mp -98.32 95.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.35 125.42 41.95 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.386 -3.639 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -140.27 121.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.213 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.043 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 64.27 21.67 12.59 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.11 0.957 . . . . 0.0 110.901 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.85 23.94 70.91 Favored Glycine 0 C--O 1.213 -1.209 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' OE2' ' A' ' 45' ' ' GLU . 22.3 ttmm -124.11 144.58 49.81 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 73.5 mt -86.66 114.18 23.14 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 121.577 0.703 . . . . 0.0 110.791 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -102.35 109.71 27.13 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.604 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.468 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 44' ' ' ILE . 1.7 mp -102.66 106.05 19.27 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.774 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.242 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.467 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 27.3 mm-40 -111.25 142.95 27.43 Favored Pre-proline 0 C--N 1.289 -2.062 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.52 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.1 169.99 9.85 Favored 'Trans proline' 0 N--CA 1.408 -3.543 0 N-CA-C 107.252 -1.865 . . . . 0.0 107.252 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' B' ' 33' ' ' VAL . 21.3 t -108.62 106.6 20.99 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.495 0 C-N-CA 117.308 -1.757 . . . . 0.0 109.11 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.11 140.51 47.18 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' B' ' 49' ' ' LYS . 0.9 OUTLIER -84.4 103.34 13.48 Favored 'General case' 0 N--CA 1.407 -2.615 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -169.696 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.293 -1.871 0 O-C-N 126.256 2.223 . . . . 0.0 109.2 -174.08 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 C--O 1.237 0.412 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -103.1 174.14 6.0 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -108.44 164.31 12.45 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 59.0 t -82.34 104.09 10.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -69.81 125.82 27.86 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 39.6 m80 74.17 114.54 0.06 Allowed 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.712 1.258 . . . . 0.0 110.015 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -66.23 -67.03 0.48 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.878 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -116.14 -0.03 12.81 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.984 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -83.66 76.26 9.99 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.852 0.834 . . . . 0.0 109.37 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -118.09 112.34 20.08 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.943 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 90.6 mtp -67.29 102.17 1.04 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.985 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 22.8 t 175.54 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -71.59 -17.07 62.31 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.466 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.64 -64.44 0.83 Allowed 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 124.944 1.298 . . . . 0.0 112.025 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 0' ' ' LYS . 35.7 t70 -115.96 -30.23 6.11 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.887 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.67 86.88 5.84 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' -2' ' ' ASP . 22.3 pttm -137.82 10.27 2.87 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.361 -166.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -170.95 81.57 0.09 OUTLIER Glycine 0 CA--C 1.477 -2.313 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 56.6 mt -89.36 122.89 41.24 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -177.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -95.62 95.89 8.66 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.913 0.863 . . . . 0.0 111.487 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -111.34 -164.19 0.9 Allowed 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.451 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.524 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 24.6 p -151.96 156.57 40.31 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.0 t -83.58 116.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -109.62 173.96 6.09 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -106.04 116.29 31.69 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -103.24 97.27 7.37 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.48 -117.27 4.93 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 -176.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -114.9 29.41 8.05 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.967 -0.137 . . . . 0.0 111.133 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -137.49 134.47 18.54 Favored Pre-proline 0 N--CA 1.421 -1.905 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 Cg_endo -67.32 129.98 21.53 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.637 2.225 . . . . 0.0 111.228 175.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 140.02 39.33 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -106.15 136.41 40.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -79.57 121.82 25.73 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 123.711 0.632 . . . . 0.0 110.141 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.6 mp -99.85 129.41 28.67 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HG3' HD13 ' A' ' 2' ' ' ILE . 19.3 Cg_endo -66.76 136.65 42.78 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.216 1.944 . . . . 0.0 111.886 178.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.0 -29.97 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.605 0.762 . . . . 0.0 111.228 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -57.54 -35.93 70.95 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 124.154 0.982 . . . . 0.0 111.082 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.49 -32.55 22.17 Favored 'General case' 0 CA--C 1.478 -1.803 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.425 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mmm -53.68 -51.94 61.6 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.306 174.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 81.5 mt-30 -67.0 -34.46 77.8 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.991 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.08 79.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.381 0.61 . . . . 0.0 111.777 -174.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.45 4.85 24.74 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.936 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 50.78 63.02 2.4 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 126.256 1.823 . . . . 0.0 113.164 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 156.03 32.26 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -126.62 -178.77 4.49 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -71.7 142.75 15.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 79.89 10.97 1.25 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.333 1.853 . . . . 0.0 110.837 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.48 128.91 35.55 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.07 146.08 51.2 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 124.048 0.843 . . . . 0.0 111.583 -175.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.5 m -136.46 151.35 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.36 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -95.08 112.44 24.15 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.044 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.13 100.18 10.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.23 136.9 42.98 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.78 140.48 32.1 Favored 'General case' 1 N--CA 1.373 -4.313 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -148.78 116.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 53.18 38.39 27.42 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.134 0.974 . . . . 0.0 112.597 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.5 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.036 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -124.5 148.93 47.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -92.38 105.25 17.48 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.093 0.949 . . . . 0.0 108.556 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.407 HD12 HD12 ' B' ' 43' ' ' ILE . 22.0 mm -100.29 105.86 18.32 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.18 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.269 -176.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.77 108.69 21.78 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 42.8 tt0 -116.42 114.36 40.48 Favored Pre-proline 0 C--N 1.295 -1.8 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.172 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 12.2 Cg_endo -62.11 146.05 96.23 Favored 'Trans proline' 0 N--CA 1.423 -2.623 0 C-N-CA 123.436 2.757 . . . . 0.0 110.326 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.6 t -90.76 106.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.358 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -57.08 136.05 56.35 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.597 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -102.31 95.92 6.62 Favored 'General case' 0 N--CA 1.406 -2.664 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 173.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.283 -2.299 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.395 -171.505 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -97.17 173.42 7.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.985 0.421 . . . . 0.0 110.193 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -106.57 165.16 11.49 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.68 110.62 19.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -78.06 125.58 29.55 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 41.8 m80 74.44 105.95 0.07 Allowed 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.837 1.336 . . . . 0.0 110.154 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -56.14 -69.74 0.14 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -113.6 -1.82 13.97 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.817 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -82.91 71.64 10.0 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 122.331 1.063 . . . . 0.0 109.185 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -113.75 112.44 23.43 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.848 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 88.4 mtp -69.83 100.7 1.58 Allowed 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.768 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 23.2 t -179.94 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -176.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.49 -14.48 61.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.541 1.537 . . . . 0.0 112.055 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.64 -64.05 1.07 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.801 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -116.37 -28.87 6.36 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.582 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -82.92 91.26 7.09 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -141.02 -1.77 1.36 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.385 -165.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -159.08 79.18 0.17 Allowed Glycine 0 CA--C 1.489 -1.58 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 35.8 mt -87.02 121.81 38.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -94.32 97.39 10.19 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.72 0.771 . . . . 0.0 111.278 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -112.3 -162.54 0.8 Allowed 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.533 -1.212 . . . . 0.0 107.84 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.582 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 11.9 p -153.57 155.64 36.51 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.41 119.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.582 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.4 mmtt -113.46 170.73 8.02 Favored 'General case' 0 C--N 1.278 -2.539 0 C-N-CA 120.031 -0.668 . . . . 0.0 109.326 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -102.47 116.89 33.54 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.059 0.457 . . . . 0.0 111.406 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -106.67 98.58 8.23 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.1 -121.95 7.29 Favored Glycine 0 N--CA 1.428 -1.867 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -111.23 30.63 6.74 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 117.292 0.546 . . . . 0.0 111.413 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -133.87 132.73 21.64 Favored Pre-proline 0 N--CA 1.412 -2.372 0 O-C-N 121.854 -0.529 . . . . 0.0 109.88 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.479 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.5 Cg_endo -66.78 129.25 20.54 Favored 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.447 2.098 . . . . 0.0 110.876 173.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.15 140.2 41.69 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -106.51 136.79 39.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -80.8 120.87 25.23 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.502 0.502 . . . . 0.0 110.431 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.5 mp -98.74 128.91 31.21 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -65.87 137.13 47.98 Favored 'Trans proline' 0 C--O 1.25 1.094 0 C-N-CA 121.985 1.79 . . . . 0.0 111.655 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.83 -29.68 68.42 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.446 0.698 . . . . 0.0 110.907 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.4 m -58.65 -34.19 70.92 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.122 0.969 . . . . 0.0 110.909 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.61 -32.02 20.84 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 121.157 0.503 . . . . 0.0 110.397 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -54.03 -51.06 65.19 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.272 173.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 80.3 mt-30 -67.64 -32.83 73.79 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.044 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.28 80.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.44 0.638 . . . . 0.0 111.97 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.86 4.8 23.89 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.241 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 50.52 60.97 3.47 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 125.647 1.579 . . . . 0.0 113.049 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.19 154.59 33.11 Favored 'General case' 0 N--CA 1.396 -3.138 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -129.2 -175.6 3.61 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.01 138.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 77.5 19.18 1.25 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.971 1.708 . . . . 0.0 110.854 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -90.11 128.56 36.35 Favored 'General case' 0 C--O 1.25 1.104 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.89 146.77 45.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 123.616 0.572 . . . . 0.0 110.778 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.24 150.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.45 113.35 25.6 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.1 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.6 mp -93.74 102.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 171.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.32 138.12 44.11 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.94 139.59 33.55 Favored 'General case' 0 N--CA 1.38 -3.968 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -146.34 112.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.273 -2.761 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 53.9 40.95 32.13 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.045 0.938 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.65 36.76 83.7 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.321 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -128.47 148.62 50.74 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -91.53 103.97 16.52 Favored 'General case' 0 CA--C 1.488 -1.431 0 CA-C-O 121.924 0.868 . . . . 0.0 109.24 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.407 HD12 HD12 ' A' ' 43' ' ' ILE . 20.5 mm -99.91 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.823 0 CA-C-N 114.338 -1.301 . . . . 0.0 108.447 -177.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.77 108.2 20.74 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.6 tt0 -116.19 113.43 41.39 Favored Pre-proline 0 C--N 1.297 -1.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.719 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 12.1 Cg_endo -61.73 149.37 90.26 Favored 'Trans proline' 0 N--CA 1.428 -2.363 0 C-N-CA 123.459 2.772 . . . . 0.0 110.071 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.33 108.1 19.77 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.247 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -59.63 134.09 56.7 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.418 -1.265 . . . . 0.0 113.038 -172.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -96.77 96.59 8.68 Favored 'General case' 0 N--CA 1.409 -2.485 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 173.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.292 -1.915 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -172.204 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -73.05 115.58 12.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.499 0.666 . . . . 0.0 112.099 -176.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -92.2 105.85 17.98 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 167.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -13' ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' ' -7' ' ' HIS . 19.4 m -49.68 132.44 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -98.09 28.18 4.15 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.285 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -113.52 137.28 51.78 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -91.54 145.29 24.73 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.092 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 42.6 m80 74.32 -39.8 0.43 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.097 1.359 . . . . 0.0 111.224 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -83.99 84.86 7.44 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -7' ' ' HIS . . . . . 0.449 ' HA ' HG21 ' A' ' -13' ' ' VAL . 60.5 m-70 -117.22 125.84 51.79 Favored 'General case' 0 CA--C 1.485 -1.539 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.011 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -145.16 20.44 1.58 Allowed 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 14.8 m -123.85 -27.78 3.9 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.463 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -85.7 -21.55 28.25 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.605 0.717 . . . . 0.0 110.053 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.95 -45.8 78.73 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 126.149 1.78 . . . . 0.0 114.568 -172.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.47 -5.56 59.28 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -92.21 94.6 9.27 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 173.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -80.2 -42.8 22.64 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.307 -175.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 3' ' ' HIS . . . 57.08 71.45 0.74 Allowed Glycine 0 N--CA 1.441 -0.972 0 O-C-N 123.955 0.784 . . . . 0.0 112.519 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.7 mt -76.36 108.04 8.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 1' ' ' GLY . 16.8 m-70 -84.48 120.9 26.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 -177.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.512 ' OG ' HG22 ' B' ' 33' ' ' VAL . 84.5 p -109.96 -153.93 0.53 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.377 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -157.48 133.86 9.72 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.5 t -88.29 119.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.16 167.58 10.7 Favored 'General case' 0 C--N 1.275 -2.645 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -102.24 121.6 42.56 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.372 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -113.52 101.98 9.86 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.49 -120.64 6.56 Favored Glycine 0 N--CA 1.414 -2.804 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -103.06 17.33 24.31 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.641 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 p -137.31 137.11 21.6 Favored Pre-proline 0 N--CA 1.411 -2.423 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.79 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.02 121.3 9.59 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 122.81 2.34 . . . . 0.0 109.882 170.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.7 134.17 48.39 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-O 121.29 0.567 . . . . 0.0 109.612 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.37 139.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -84.0 104.43 14.07 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -88.05 133.04 38.03 Favored Pre-proline 0 C--N 1.308 -1.232 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 126.72 19.99 Favored 'Trans proline' 0 C--O 1.251 1.135 0 C-N-CA 121.941 1.761 . . . . 0.0 110.731 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -60.74 -25.19 66.29 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.272 0.629 . . . . 0.0 110.405 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -55.87 -36.33 67.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.458 1.103 . . . . 0.0 110.789 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.96 -34.49 29.74 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mmm -55.57 -48.29 75.02 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.054 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 96.8 mt-30 -63.56 -37.2 86.41 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.06 175.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.23 -35.11 75.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.489 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 mt -99.04 1.25 45.15 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.403 0.621 . . . . 0.0 111.311 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 67.01 27.36 8.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 173.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.09 160.51 14.26 Favored 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -125.03 179.45 5.03 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.085 -0.385 . . . . 0.0 110.194 -178.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.1 mm -72.78 142.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 79.77 14.59 0.93 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 125.299 1.44 . . . . 0.0 112.101 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' B' ' 5' ' ' SER . 12.5 t0 -91.97 173.21 7.96 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 175.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 4' ' ' SER . 30.3 tt0 -118.78 135.41 54.53 Favored 'General case' 0 C--N 1.271 -2.834 0 C-N-CA 124.017 0.927 . . . . 0.0 109.6 -173.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.544 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.5 m -129.22 157.86 41.95 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 C-N-CA 119.548 -0.861 . . . . 0.0 111.273 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HG3' HG22 ' A' ' 47' ' ' VAL . 9.5 mtmp? -99.64 123.0 43.48 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.506 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.35 112.32 31.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -124.83 126.36 45.47 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -87.99 131.93 34.44 Favored 'General case' 0 N--CA 1.383 -3.808 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.02 108.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.052 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 63.42 26.82 15.05 Favored 'General case' 0 N--CA 1.507 2.388 0 CA-C-O 122.768 1.27 . . . . 0.0 110.876 174.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.48 7.28 82.51 Favored Glycine 0 C--N 1.303 -1.303 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.41 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HD2' ' HG2' ' B' ' 45' ' ' GLU . 11.1 tppt? -102.59 141.72 34.94 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.4 mt -91.5 104.61 17.09 Favored 'General case' 0 CA--C 1.48 -1.713 0 CA-C-O 122.047 0.927 . . . . 0.0 109.168 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -97.9 107.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.856 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.29 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.58 124.95 54.46 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.104 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.819 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' B' ' 41' ' ' LYS . 51.7 mt-10 -130.05 148.49 69.88 Favored Pre-proline 0 C--N 1.293 -1.854 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.72 165.98 6.14 Favored 'Trans proline' 1 N--CA 1.4 -4.022 0 N-CA-C 109.167 -1.128 . . . . 0.0 109.167 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 33' ' ' VAL . 11.2 t -107.84 103.85 16.14 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.578 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 177.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -80.36 124.45 28.88 Favored 'General case' 0 C--N 1.28 -2.415 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.921 -173.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.76 96.65 9.8 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.267 -2.979 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -175.879 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 . . . . . 0 C--O 1.238 0.488 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -68.37 109.09 3.49 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -87.66 105.56 17.44 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 168.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -13' ' ' VAL . . . . . 0.415 HG21 ' HA ' ' B' ' -7' ' ' HIS . 23.0 m -50.61 133.91 10.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -175.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -99.39 30.89 3.33 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 113.99 -1.459 . . . . 0.0 108.448 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -116.03 136.36 53.1 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.103 -1.408 . . . . 0.0 107.238 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -92.46 146.12 23.93 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.902 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 39.2 m80 77.0 -48.99 0.54 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.428 1.491 . . . . 0.0 110.472 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -78.14 85.45 4.33 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -7' ' ' HIS . . . . . 0.415 ' HA ' HG21 ' B' ' -13' ' ' VAL . 53.6 m-70 -116.25 123.93 48.94 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.726 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -138.86 15.91 2.67 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 176.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 20.2 m -119.62 -29.79 4.98 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.5 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -85.81 -21.05 28.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.475 0.655 . . . . 0.0 110.486 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.66 -47.24 80.23 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 126.29 1.836 . . . . 0.0 114.126 -170.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -82.8 -16.73 46.7 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.12 90.06 4.85 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -73.68 -44.05 57.71 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 -175.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 60.01 74.33 0.38 Allowed Glycine 0 N--CA 1.441 -0.978 0 O-C-N 123.826 0.704 . . . . 0.0 112.61 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.03 108.85 13.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -85.47 121.71 28.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.401 0.619 . . . . 0.0 110.775 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.544 ' OG ' HG22 ' A' ' 33' ' ' VAL . 62.3 p -111.19 -154.8 0.55 Allowed 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.304 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 50.9 m -156.01 134.59 11.69 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 173.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.54 116.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.57 166.62 11.34 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -102.51 124.51 48.19 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.999 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 16.3 t90 -114.79 101.1 8.74 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.79 -121.09 8.43 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 108.633 -1.787 . . . . 0.0 108.633 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -102.39 20.7 16.45 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 56.6 p -140.03 136.22 17.0 Favored Pre-proline 0 N--CA 1.414 -2.226 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.694 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -59.37 123.23 12.95 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.832 2.355 . . . . 0.0 109.783 171.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.81 133.09 46.74 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.686 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.88 138.67 27.44 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.105 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -84.08 106.08 15.44 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -87.8 134.36 35.68 Favored Pre-proline 0 C--N 1.304 -1.395 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.41 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.52 124.03 13.89 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.143 1.895 . . . . 0.0 111.033 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.46 -25.69 64.6 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.654 0.782 . . . . 0.0 110.827 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -56.06 -36.09 67.67 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.47 0.708 . . . . 0.0 110.943 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.21 -34.77 32.02 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.132 0.492 . . . . 0.0 110.972 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.4 mmm -55.13 -48.91 73.0 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.206 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 96.7 mt-30 -61.93 -39.63 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.163 -1.381 . . . . 0.0 110.55 175.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.07 83.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.829 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.3 mt -94.54 -3.41 49.85 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.411 0.624 . . . . 0.0 111.552 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 63.46 54.72 1.9 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 125.03 1.332 . . . . 0.0 113.881 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 158.02 34.73 Favored 'General case' 0 N--CA 1.403 -2.817 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -125.28 -179.25 4.51 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.19 143.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 78.74 15.87 1.12 Allowed 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.398 1.479 . . . . 0.0 111.944 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -94.75 167.07 11.67 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 4' ' ' SER . 38.0 tt0 -110.04 137.17 48.18 Favored 'General case' 0 C--N 1.268 -2.976 0 C-N-CA 123.461 0.704 . . . . 0.0 110.129 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.512 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.7 m -130.51 155.63 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.014 -0.675 . . . . 0.0 110.584 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.405 ' HZ2' ' HB2' ' B' ' 34' ' ' LYS . 9.7 mtmp? -97.1 130.64 44.35 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -104.71 111.31 33.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.98 132.5 56.63 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.005 0.431 . . . . 0.0 110.72 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.82 125.88 39.78 Favored 'General case' 1 N--CA 1.378 -4.04 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 49.9 t -142.05 107.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.179 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 64.68 31.06 12.27 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 122.642 1.211 . . . . 0.0 110.372 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.46 11.1 85.23 Favored Glycine 0 C--N 1.31 -0.9 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.476 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' A' ' 45' ' ' GLU . 11.1 tppt? -106.12 142.18 36.24 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -91.5 105.18 17.56 Favored 'General case' 0 CA--C 1.483 -1.633 0 CA-C-O 121.844 0.83 . . . . 0.0 109.58 175.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 36.7 mm -98.8 106.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.353 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.8 124.19 54.26 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.169 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.867 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' HD2' ' A' ' 41' ' ' LYS . 52.0 mt-10 -128.98 148.05 67.34 Favored Pre-proline 0 C--N 1.294 -1.844 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -87.05 168.59 7.78 Favored 'Trans proline' 1 N--CA 1.4 -4.005 0 N-CA-C 108.8 -1.269 . . . . 0.0 108.8 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.7 t -108.96 107.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.446 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -82.17 126.04 31.6 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.179 -174.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.28 96.15 10.45 Favored 'General case' 0 N--CA 1.417 -2.115 0 N-CA-C 105.658 -1.979 . . . . 0.0 105.658 176.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.283 -2.284 0 CA-C-N 114.304 -1.316 . . . . 0.0 107.851 -174.253 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 39.0 t30 . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 120.296 0.093 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 60.05 91.95 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.68 1.192 . . . . 0.0 111.473 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -129.18 90.62 3.05 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 36.0 m -99.36 -4.04 9.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -12' ' ' HIS . . . . . 0.575 ' HA ' ' HB2' ' A' ' -9' ' ' HIS . 41.1 m80 62.96 -174.71 0.15 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 73.74 -53.5 0.69 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.03 1.332 . . . . 0.0 111.337 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -113.87 26.56 10.24 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -9' ' ' HIS . . . . . 0.575 ' HB2' ' HA ' ' A' ' -12' ' ' HIS . 57.2 t-80 -80.44 98.19 7.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.855 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -117.39 -46.9 2.67 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.746 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -7' ' ' HIS . . . . . 0.538 ' NE2' ' HA ' ' A' ' -5' ' ' SER . 86.6 t60 -134.34 120.06 19.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.061 -175.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 66.9 mtm -81.37 -9.95 59.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.746 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' SER . . . . . 0.538 ' HA ' ' NE2' ' A' ' -7' ' ' HIS . 8.6 t 67.19 67.61 0.4 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -173.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.02 -17.55 26.23 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 113.319 -1.764 . . . . 0.0 113.458 -169.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -105.99 -17.82 14.22 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.644 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -116.63 -3.86 11.75 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.15 137.06 57.77 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.281 0.562 . . . . 0.0 110.527 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -86.12 5.43 33.85 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 140.79 119.12 1.55 Allowed Glycine 0 N--CA 1.429 -1.803 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.896 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.58 109.73 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -86.09 134.65 33.81 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.874 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.4 m -149.54 -164.99 2.16 Favored 'General case' 0 C--N 1.286 -2.188 0 C-N-CA 124.385 1.074 . . . . 0.0 108.236 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.46 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 15.8 p -150.19 160.65 43.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 118.236 0.471 . . . . 0.0 110.201 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.9 t -89.49 123.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 74.9 mmtt -110.99 175.84 5.26 Favored 'General case' 0 C--N 1.271 -2.824 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -107.22 119.64 39.94 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.998 -0.439 . . . . 0.0 109.905 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -114.18 97.96 6.66 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -129.39 17.17 Favored Glycine 0 N--CA 1.425 -2.064 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -96.92 18.16 15.25 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.068 0.461 . . . . 0.0 109.988 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 p -129.08 130.42 23.41 Favored Pre-proline 0 N--CA 1.416 -2.154 0 O-C-N 120.841 -1.162 . . . . 0.0 111.414 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.84 124.69 14.99 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.616 2.211 . . . . 0.0 109.707 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.97 138.06 41.91 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.205 0.526 . . . . 0.0 110.537 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.61 139.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -83.84 104.94 14.35 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 123.44 0.462 . . . . 0.0 109.893 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 mp -87.0 130.55 47.84 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.59 132.56 46.47 Favored 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.341 2.027 . . . . 0.0 111.545 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.488 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 m -56.22 -40.85 74.72 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.294 0.637 . . . . 0.0 110.13 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.16 -36.03 61.56 Favored 'General case' 0 CA--C 1.483 -1.632 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mmm -53.46 -46.55 69.96 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.776 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -71.77 -28.92 63.96 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.608 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -28.34 57.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.055 0.455 . . . . 0.0 111.579 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.7 mt -100.46 -10.37 21.18 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.643 0.735 . . . . 0.0 109.969 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.5 67.49 0.77 Allowed 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.761 1.624 . . . . 0.0 113.294 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.4 pt? -134.42 164.16 28.05 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 114.193 -1.367 . . . . 0.0 107.727 172.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -130.11 -177.13 4.17 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.1 mm -66.34 140.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-O 121.291 0.567 . . . . 0.0 110.581 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t0 73.67 20.02 3.12 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 126.821 2.048 . . . . 0.0 111.299 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -90.14 146.87 23.96 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.68 136.2 33.46 Favored 'General case' 0 C--N 1.267 -3.006 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.355 -172.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.478 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.0 m -130.28 157.96 42.74 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.105 -178.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG3' HG22 ' A' ' 47' ' ' VAL . 40.0 mtmt -102.31 133.97 46.35 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.208 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.35 100.31 10.16 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 169.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -100.83 135.16 42.71 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 HD21 ' B' ' 25' ' ' LEU . 2.5 tm? -99.36 129.52 45.57 Favored 'General case' 0 N--CA 1.388 -3.551 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -144.15 119.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.49 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 58.11 21.12 7.61 Favored 'General case' 0 N--CA 1.508 2.473 0 C-N-CA 124.977 1.311 . . . . 0.0 113.013 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.38 11.75 66.18 Favored Glycine 0 C--N 1.295 -1.738 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.213 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.88 154.35 34.48 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 117.988 0.894 . . . . 0.0 109.212 172.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 29.5 mt -89.02 115.7 26.77 Favored 'General case' 0 CA--C 1.482 -1.663 0 CA-C-O 121.744 0.783 . . . . 0.0 109.516 -178.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.7 mm -103.25 102.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.218 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.096 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 62.9 mt -100.85 104.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.978 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.822 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -111.93 136.17 21.23 Favored Pre-proline 0 C--N 1.278 -2.526 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -79.35 168.12 20.46 Favored 'Trans proline' 0 N--CA 1.413 -3.219 0 C-N-CA 120.774 0.983 . . . . 0.0 109.624 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.4 t -101.86 115.67 44.08 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.154 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -78.04 149.7 33.95 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.368 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -110.23 104.72 13.58 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--O 1.248 0.996 0 O-C-N 125.291 1.619 . . . . 0.0 107.621 -174.538 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 45.0 t30 . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 110.708 -0.108 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 63.11 90.02 0.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.706 1.202 . . . . 0.0 112.213 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -14' ' ' LYS . . . . . 0.6 ' HE2' ' NE2' ' B' ' -12' ' ' HIS . 86.0 tttt -127.81 93.63 3.74 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 29.9 m -97.46 -16.84 6.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.101 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -12' ' ' HIS . . . . . 0.6 ' NE2' ' HE2' ' B' ' -14' ' ' LYS . 40.3 m80 70.26 -179.34 0.23 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.594 0.757 . . . . 0.0 111.607 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 76.99 -46.27 0.5 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.059 1.343 . . . . 0.0 110.835 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.16 28.14 8.42 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -9' ' ' HIS . . . . . 0.513 ' HB2' ' HA ' ' B' ' -12' ' ' HIS . 58.3 t-80 -84.86 93.36 8.49 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.362 -0.836 . . . . 0.0 108.968 -178.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -110.38 -40.31 4.69 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.227 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -7' ' ' HIS . . . . . 0.556 ' NE2' ' HA ' ' B' ' -5' ' ' SER . 86.4 t60 -141.47 129.22 21.65 Favored 'General case' 0 N--CA 1.424 -1.76 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 69.7 mtm -87.62 -9.61 53.77 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -5' ' ' SER . . . . . 0.556 ' HA ' ' NE2' ' B' ' -7' ' ' HIS . 8.9 t 66.06 64.68 0.53 Allowed 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -172.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.07 -29.8 32.39 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.74 1.616 . . . . 0.0 113.105 -170.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.92 -24.29 22.5 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.505 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' -2' ' ' ASP . . . . . 0.402 ' HB3' ' OG ' ' B' ' -5' ' ' SER . 31.0 t70 -108.62 -12.98 14.9 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -172.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.23 130.17 45.01 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.398 0.618 . . . . 0.0 111.628 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -82.2 13.29 3.57 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -174.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 133.67 117.21 1.77 Allowed Glycine 0 N--CA 1.425 -2.057 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.14 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.02 107.71 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -85.02 134.37 34.22 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.304 0.573 . . . . 0.0 110.707 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 39.7 m -145.66 -165.46 2.2 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 124.34 1.056 . . . . 0.0 108.808 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.541 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 15.3 p -149.39 153.79 37.91 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-O 120.722 0.296 . . . . 0.0 110.553 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 43.4 t -85.58 122.52 38.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.541 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 75.7 mmtt -110.66 176.38 5.06 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -109.13 119.73 40.4 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.785 -0.572 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -113.37 96.89 6.14 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.94 -129.29 11.66 Favored Glycine 0 N--CA 1.42 -2.383 0 N-CA-C 107.919 -2.072 . . . . 0.0 107.919 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -95.85 11.14 34.77 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-O 120.989 0.423 . . . . 0.0 110.73 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 59.0 p -120.84 130.1 25.01 Favored Pre-proline 0 N--CA 1.418 -2.067 0 O-C-N 120.683 -1.261 . . . . 0.0 111.747 -175.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -60.97 125.7 17.76 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.632 2.222 . . . . 0.0 109.887 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.64 139.42 40.27 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.16 0.505 . . . . 0.0 110.403 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.87 138.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -83.14 105.67 14.31 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.25 131.02 45.62 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -60.53 130.97 35.73 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 122.277 1.985 . . . . 0.0 111.696 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.85 68.02 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.432 0.693 . . . . 0.0 110.932 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -57.8 -39.07 76.67 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.304 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.46 -35.26 53.99 Favored 'General case' 0 CA--C 1.484 -1.562 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 82.4 mmm -54.17 -46.56 72.35 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.82 -35.3 78.38 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.533 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.27 69.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.479 0.656 . . . . 0.0 111.965 -175.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 77.4 mt -93.37 -13.31 28.22 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.952 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 t30 66.05 66.57 0.49 Allowed 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.756 1.623 . . . . 0.0 112.368 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.4 pt? -134.11 165.2 25.62 Favored 'General case' 0 N--CA 1.404 -2.726 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.533 172.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -126.92 -178.71 4.5 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 123.558 0.743 . . . . 0.0 109.262 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.96 142.86 15.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.4 t70 78.56 7.72 2.25 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.583 1.953 . . . . 0.0 111.669 177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -82.77 139.73 33.42 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -79.85 134.82 36.34 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.011 -173.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.466 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.8 m -131.2 154.63 40.94 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 41.1 mtmt -101.04 137.05 39.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 120.871 0.367 . . . . 0.0 110.47 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -104.83 99.55 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.071 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 170.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -100.31 139.7 35.6 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.407 HD13 ' N ' ' B' ' 38' ' ' VAL . 2.1 tm? -102.75 130.16 49.62 Favored 'General case' 0 N--CA 1.383 -3.796 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.407 ' N ' HD13 ' B' ' 37' ' ' LEU . 87.3 t -145.54 119.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.943 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 57.71 21.08 6.97 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 125.424 1.49 . . . . 0.0 113.831 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.71 14.59 65.04 Favored Glycine 0 C--N 1.286 -2.231 0 C-N-CA 119.324 -1.417 . . . . 0.0 113.085 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.79 35.4 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 117.674 0.737 . . . . 0.0 109.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 72.4 mt -88.96 115.93 26.87 Favored 'General case' 0 CA--C 1.478 -1.804 0 CA-C-O 121.834 0.826 . . . . 0.0 110.137 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 24.9 mm -103.34 101.73 12.63 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.24 0 CA-C-N 114.275 -1.33 . . . . 0.0 107.836 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 59.2 mt -100.07 104.64 16.4 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.888 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.823 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 35.9 tt0 -112.72 136.04 21.58 Favored Pre-proline 0 C--N 1.279 -2.462 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.9 Cg_endo -79.18 168.73 20.01 Favored 'Trans proline' 0 N--CA 1.418 -2.961 0 C-N-CA 121.003 1.135 . . . . 0.0 109.496 -176.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.2 t -103.5 114.6 43.56 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.201 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.649 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -75.01 150.32 39.0 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.503 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -110.91 103.17 11.64 Favored 'General case' 0 C--N 1.268 -2.939 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--N 1.312 -1.041 0 O-C-N 124.847 1.342 . . . . 0.0 108.366 -174.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 CA--C 1.501 -0.908 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -76.77 103.39 6.71 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -94.74 -45.56 7.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.924 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 47.7 t -72.17 -46.32 58.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -99.88 125.58 45.87 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -87.05 42.13 1.01 Allowed 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -144.64 131.65 20.4 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.636 -175.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -84.53 117.91 24.0 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -70.83 134.86 47.7 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.676 -178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -94.94 145.16 25.11 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.231 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 85.0 mtp -126.02 108.42 11.37 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 39.8 m -146.13 18.04 1.39 Allowed 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.343 1.068 . . . . 0.0 108.937 176.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -85.86 -24.77 26.57 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.852 -176.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.08 -22.15 62.15 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -172.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -71.94 -59.86 2.53 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -176.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -83.02 98.9 9.51 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.155 0.503 . . . . 0.0 110.074 -176.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -123.49 0.97 8.91 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.399 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -108.29 100.91 1.51 Allowed Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.2 mt -97.51 133.1 40.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -176.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -102.38 137.45 40.61 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 28.8 m -153.77 -165.6 2.17 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -144.4 154.88 43.44 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.95 122.17 32.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -113.78 167.69 10.42 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HE ' HG13 ' B' ' 29' ' ' ILE . 16.4 ttm180 -103.6 116.56 32.58 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -173.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -105.31 97.7 7.51 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.14 -130.09 11.12 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -98.3 17.67 18.19 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 117.289 0.544 . . . . 0.0 111.117 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -128.04 134.84 26.67 Favored Pre-proline 0 N--CA 1.413 -2.308 0 O-C-N 121.459 -0.776 . . . . 0.0 110.702 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.2 Cg_endo -68.21 134.63 32.0 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.111 2.541 . . . . 0.0 112.471 176.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.0 143.5 40.64 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG23 HD13 ' B' ' 17' ' ' ILE . 88.0 t -102.68 131.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -84.92 131.05 34.55 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.443 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.414 HD13 HG23 ' B' ' 15' ' ' VAL . 2.3 mp -112.13 134.8 21.37 Favored Pre-proline 0 C--N 1.301 -1.509 0 C-N-CA 122.997 0.519 . . . . 0.0 109.92 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -68.15 137.98 42.16 Favored 'Trans proline' 0 C--O 1.25 1.112 0 C-N-CA 121.845 1.697 . . . . 0.0 111.35 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.17 -26.2 64.58 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 121.192 0.52 . . . . 0.0 111.035 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -59.44 -39.96 85.26 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 123.54 0.736 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.16 -34.77 56.35 Favored 'General case' 0 CA--C 1.48 -1.724 0 CA-C-O 121.143 0.497 . . . . 0.0 110.744 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 83.2 mmm -55.86 -47.65 76.94 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.684 174.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.3 mt-30 -65.94 -34.13 77.41 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.86 174.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.05 71.65 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.589 0.709 . . . . 0.0 111.365 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.8 mt -93.51 -7.24 44.86 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.023 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.48 66.27 0.88 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.821 1.248 . . . . 0.0 112.987 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.2 pt? -135.18 164.51 27.53 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.022 171.022 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.94 -169.87 2.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG13 ' HE ' ' B' ' 8' ' ' ARG . 50.4 mm -71.41 138.55 21.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.295 3.8 m-20 83.27 8.01 0.68 Allowed 'General case' 0 CA--C 1.489 -1.374 0 C-N-CA 126.084 1.754 . . . . 0.0 114.533 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.26 125.05 28.7 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' SER . 35.7 tt0 -67.21 137.06 55.92 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.443 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.62 152.77 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-O 121.245 0.545 . . . . 0.0 110.762 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -95.94 113.03 24.61 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.795 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.95 97.4 6.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.674 -1.972 . . . . 0.0 105.674 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.5 130.87 55.48 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.91 125.4 33.31 Favored 'General case' 0 N--CA 1.394 -3.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -144.87 121.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.971 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 59.72 32.88 21.67 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.511 1.148 . . . . 0.0 111.231 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.38 2.42 87.52 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.043 -0.981 . . . . 0.0 114.147 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.23 164.2 21.5 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 118.216 1.008 . . . . 0.0 111.122 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.46 124.54 37.52 Favored 'General case' 0 CA--C 1.482 -1.664 0 CA-C-O 121.656 0.741 . . . . 0.0 109.29 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.456 HD12 HD12 ' B' ' 43' ' ' ILE . 23.1 mm -103.49 123.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.251 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.977 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -104.03 105.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' HG22 ' A' ' 43' ' ' ILE . 49.3 mt-10 -116.25 147.24 39.03 Favored Pre-proline 0 C--N 1.293 -1.865 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -89.82 164.05 5.05 Favored 'Trans proline' 0 N--CA 1.401 -3.954 0 C-N-CA 120.991 1.127 . . . . 0.0 110.199 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t -113.7 110.21 31.31 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.608 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -73.99 134.49 43.09 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -85.96 97.0 10.01 Favored 'General case' 0 CA--C 1.483 -1.602 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.105 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.274 -2.711 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 179.168 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 50.0 t30 . . . . . 0 CA--C 1.506 -0.717 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -77.54 100.84 6.24 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -92.6 -44.86 8.37 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.226 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 40.4 t -74.65 -43.68 47.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -101.61 121.18 41.53 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.97 -1.013 . . . . 0.0 108.629 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -86.8 58.19 4.92 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -158.67 137.32 11.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -93.04 118.63 31.4 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -71.89 134.0 45.77 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.553 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -98.35 138.52 35.47 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.658 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 90.1 mtp -119.36 108.37 14.51 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 19.1 m -143.6 12.51 1.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.766 0.793 . . . . 0.0 109.003 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -85.72 -15.43 42.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.388 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.14 -21.3 54.35 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.177 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.29 -58.14 3.81 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.412 -174.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -87.47 108.47 19.03 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -132.29 4.14 4.01 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.003 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -109.3 106.65 2.26 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 62.6 mt -103.48 130.08 54.41 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.067 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -97.44 136.75 37.43 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 120.995 0.426 . . . . 0.0 110.255 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 64.3 m -153.35 -165.9 2.28 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -147.61 150.12 33.83 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.1 118.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -110.63 167.91 9.86 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ARG . . . . . 0.42 ' HE ' HG13 ' A' ' 29' ' ' ILE . 17.1 ttm180 -102.75 116.68 33.06 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -106.17 95.99 6.16 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.29 -125.53 7.03 Favored Glycine 0 N--CA 1.424 -2.166 0 N-CA-C 108.686 -1.766 . . . . 0.0 108.686 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -109.19 28.65 8.29 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-N 117.259 0.529 . . . . 0.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -141.16 141.39 23.47 Favored Pre-proline 0 N--CA 1.409 -2.478 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.51 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 29.4 Cg_endo -72.89 136.07 24.5 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 123.464 2.776 . . . . 0.0 112.925 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.97 43.22 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.041 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.414 HG23 HD13 ' A' ' 17' ' ' ILE . 78.3 t -101.04 131.59 48.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -85.66 129.31 34.86 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.896 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.412 HD13 HG23 ' A' ' 15' ' ' VAL . 2.2 mp -110.09 136.72 20.44 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 122.861 0.464 . . . . 0.0 109.869 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.13 139.48 39.06 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.032 1.822 . . . . 0.0 111.146 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.34 -24.45 67.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.91 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -57.33 -42.87 82.75 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.606 0.763 . . . . 0.0 110.086 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.22 -33.37 59.24 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.398 0.618 . . . . 0.0 110.964 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.48 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 85.1 mmm -56.72 -47.26 80.36 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.704 174.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -65.05 -37.46 87.64 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.261 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.73 81.21 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 65.3 mt -96.17 -7.44 35.8 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.715 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t30 61.89 65.99 0.86 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.206 1.403 . . . . 0.0 113.252 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -134.56 165.02 26.17 Favored 'General case' 0 N--CA 1.409 -2.508 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.629 172.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.3 -166.3 1.78 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.532 HG13 ' HE ' ' A' ' 8' ' ' ARG . 51.1 mm -74.97 140.44 17.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . 0.286 7.9 m-20 82.76 5.04 0.97 Allowed 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 125.563 1.545 . . . . 0.0 114.218 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.37 122.43 23.75 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' SER . 26.8 tt0 -70.44 136.21 49.34 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.683 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.53 151.55 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.53 0 CA-C-O 121.063 0.458 . . . . 0.0 110.771 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -93.03 115.57 28.23 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.452 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.83 97.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.9 132.38 54.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -175.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.7 125.08 32.92 Favored 'General case' 0 N--CA 1.386 -3.648 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.409 ' HB ' ' CG1' ' B' ' 43' ' ' ILE . 60.9 t -145.9 122.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.271 -176.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 59.9 27.77 17.17 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.603 1.161 . . . . 0.0 111.134 175.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.36 8.4 77.92 Favored Glycine 0 C--N 1.306 -1.104 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.726 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 164.24 23.85 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 117.709 0.754 . . . . 0.0 110.426 175.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -93.52 122.18 35.69 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 121.603 0.715 . . . . 0.0 109.616 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.456 HD12 HD12 ' A' ' 43' ' ' ILE . 28.4 mm -101.79 122.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.28 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.225 -178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.4 105.78 18.71 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -116.98 146.09 37.11 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -87.7 168.52 7.02 Favored 'Trans proline' 0 N--CA 1.402 -3.86 0 C-N-CA 120.968 1.112 . . . . 0.0 109.823 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 t -117.63 115.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.413 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -78.36 133.52 37.56 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.634 0.73 . . . . 0.0 112.955 -172.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -86.84 97.52 10.69 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.693 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--N 1.265 -3.1 0 N-CA-C 107.084 -1.451 . . . . 0.0 107.084 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 38.9 p30 . . . . . 0 CA--C 1.512 -0.504 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -92.76 92.1 7.79 Favored 'General case' 0 N--CA 1.433 -1.32 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -120.48 -45.09 2.44 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.27 -39.17 17.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -97.11 25.28 5.57 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.015 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -69.13 -43.04 75.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.725 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 61.67 22.58 13.06 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.371 0.668 . . . . 0.0 111.269 172.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 39.2 m80 59.92 22.2 11.22 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.819 0.848 . . . . 0.0 112.007 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -81.05 -33.94 33.13 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.754 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 62.27 -171.87 0.16 Allowed 'General case' 0 C--O 1.245 0.853 0 C-N-CA 123.331 0.652 . . . . 0.0 110.806 -176.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 25.6 ttt -122.4 -7.22 8.71 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 49.4 m 73.47 -38.13 0.4 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.619 1.568 . . . . 0.0 111.426 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.36 -23.67 67.37 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.273 1.035 . . . . 0.0 109.735 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -81.66 -16.22 52.06 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.515 -1.221 . . . . 0.0 109.744 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -92.67 -33.85 14.2 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.701 -176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -94.99 0.04 54.27 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.399 -0.521 . . . . 0.0 111.285 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -132.82 83.8 2.09 Favored 'General case' 0 C--O 1.252 1.211 0 CA-C-O 121.045 0.45 . . . . 0.0 110.365 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -86.49 -102.6 0.78 Allowed Glycine 0 N--CA 1.427 -1.949 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.159 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.3 mt -118.61 139.72 44.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -94.55 143.2 26.62 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 m -152.65 -170.18 3.56 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 123.066 0.547 . . . . 0.0 109.78 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.553 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 16.8 p -152.61 154.93 36.35 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-O 120.826 0.346 . . . . 0.0 111.243 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.26 121.7 40.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 72.4 mmtt -116.57 165.79 12.84 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -100.03 117.64 34.74 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.213 0.53 . . . . 0.0 111.719 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -104.75 95.15 5.69 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.44 -116.66 6.27 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -175.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -109.6 27.93 9.07 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.87 0.335 . . . . 0.0 110.903 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -133.77 128.12 19.71 Favored Pre-proline 0 N--CA 1.411 -2.393 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.627 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 29.5 Cg_endo -70.21 125.76 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.05 1.833 . . . . 0.0 109.457 172.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.66 142.92 46.99 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.051 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -112.01 140.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.87 121.14 28.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.11 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -94.85 135.41 23.75 Favored Pre-proline 0 C--N 1.305 -1.357 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -67.61 137.89 43.83 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 121.424 1.416 . . . . 0.0 110.049 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.05 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.158 0.504 . . . . 0.0 111.17 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -56.45 -38.92 72.32 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 123.896 0.878 . . . . 0.0 110.399 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.9 mm? -76.22 -34.78 59.25 Favored 'General case' 0 CA--C 1.474 -1.958 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.167 -178.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.632 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 80.7 mtp -54.01 -48.73 70.15 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.078 174.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.91 -31.98 72.12 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.084 -1.417 . . . . 0.0 110.773 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 -32.42 62.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.19 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD11 ' HG ' ' B' ' 42' ' ' LEU . 66.5 mt -93.57 -16.3 24.54 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.586 -177.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.68 61.15 0.55 Allowed 'General case' 0 C--O 1.242 0.678 0 C-N-CA 126.201 1.8 . . . . 0.0 110.962 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.82 155.87 49.88 Favored 'General case' 0 N--CA 1.409 -2.501 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.893 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -121.78 -175.42 3.09 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.939 0.4 . . . . 0.0 110.895 -176.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.8 mm -69.81 140.96 17.79 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 72.39 22.09 3.55 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 125.707 1.603 . . . . 0.0 109.734 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -94.39 144.47 25.52 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.03 133.37 33.6 Favored 'General case' 0 C--N 1.278 -2.501 0 C-N-CA 123.919 0.888 . . . . 0.0 109.704 -173.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.2 m -126.44 157.66 36.92 Favored 'Isoleucine or valine' 0 C--O 1.247 0.974 0 CA-C-O 120.93 0.395 . . . . 0.0 110.476 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -102.78 122.85 45.33 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.441 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.96 108.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -115.37 142.37 46.79 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -99.97 126.5 46.15 Favored 'General case' 0 N--CA 1.386 -3.632 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 22.0 t -147.89 132.42 10.03 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.16 22.18 13.25 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.504 1.121 . . . . 0.0 110.599 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.25 68.81 Favored Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.676 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' B' ' 44' ' ' ILE . 15.6 pttt -141.08 163.65 32.38 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 117.489 0.645 . . . . 0.0 110.299 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HG ' HD11 ' B' ' 25' ' ' LEU . 55.6 mt -86.61 131.68 34.09 Favored 'General case' 0 CA--C 1.476 -1.868 0 CA-C-O 122.183 0.992 . . . . 0.0 110.396 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.53 HD12 HD12 ' B' ' 43' ' ' ILE . 45.9 mm -117.39 128.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.631 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.186 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 37.9 mm -113.52 104.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-O 121.506 0.67 . . . . 0.0 109.327 -174.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 42.6 tt0 -118.16 132.31 23.79 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 3.7 Cg_exo -76.71 170.27 20.2 Favored 'Trans proline' 0 N--CA 1.427 -2.426 0 C-N-CA 121.072 1.181 . . . . 0.0 111.022 -175.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.8 t -105.14 113.83 43.16 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.684 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.9 mtm105 -71.83 136.6 47.07 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 41.4 mmtm -92.97 93.72 8.51 Favored 'General case' 0 N--CA 1.407 -2.605 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 49' ' ' LYS . 36.1 tt0 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 128.317 2.647 . . . . 0.0 104.021 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 . . . . . 0 CA--C 1.5 -0.969 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -92.81 91.8 7.63 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.843 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -119.06 -46.1 2.54 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 52.7 t -79.03 -44.76 24.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -89.12 22.83 2.64 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.894 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -11' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' B' ' -7' ' ' HIS . 54.2 t60 -65.8 -45.05 83.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.397 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 59.98 22.86 11.97 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.75 0.82 . . . . 0.0 110.713 173.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 53.9 m80 59.5 21.79 10.29 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.39 1.076 . . . . 0.0 112.131 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -74.86 -39.5 61.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.383 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -7' ' ' HIS . . . . . 0.409 ' HA ' ' CE1' ' B' ' -11' ' ' HIS . 55.6 m-70 64.97 -177.44 0.18 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.047 0.842 . . . . 0.0 110.524 -174.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' -6' ' ' MET . . . . . 0.408 ' C ' ' H ' ' B' ' -4' ' ' ASP . 26.5 ttt -116.46 -5.61 11.73 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 175.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 51.9 m 71.49 -36.11 0.35 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.509 1.524 . . . . 0.0 111.802 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -4' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' B' ' -6' ' ' MET . 23.2 t70 -64.83 -26.13 68.2 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.368 1.08 . . . . 0.0 109.785 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.64 -13.41 59.51 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.293 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.67 -36.05 13.85 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.604 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -94.69 1.17 55.5 Favored 'General case' 0 C--N 1.321 -0.63 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.49 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -133.18 82.27 1.98 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.726 0.298 . . . . 0.0 110.598 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -85.53 -98.32 0.72 Allowed Glycine 0 C--N 1.304 -1.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.851 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.6 mt -120.29 145.61 26.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -105.01 138.46 41.18 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -145.88 -165.7 2.27 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.898 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.452 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.4 p -154.66 153.99 32.23 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.997 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.88 118.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.452 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.4 mmtt -113.41 168.39 9.78 Favored 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -101.61 121.39 41.91 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.301 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -108.9 97.95 7.51 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.49 -116.95 5.99 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -113.08 30.42 7.2 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 120.801 0.334 . . . . 0.0 110.121 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -133.71 129.35 20.32 Favored Pre-proline 0 N--CA 1.408 -2.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.632 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 32.5 Cg_endo -71.32 127.07 12.92 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.161 1.908 . . . . 0.0 109.57 172.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -135.67 141.26 44.96 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.924 0.392 . . . . 0.0 110.222 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 p -110.25 139.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -85.01 123.27 30.36 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.005 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.54 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mp -97.45 134.23 22.83 Favored Pre-proline 0 C--N 1.31 -1.123 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -67.32 134.75 34.51 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 121.265 1.31 . . . . 0.0 109.971 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -60.32 -28.27 68.0 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.315 0.579 . . . . 0.0 111.195 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.7 m -59.52 -36.25 75.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.206 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 3.9 mm? -77.49 -35.33 53.75 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.627 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.8 mtp -52.79 -48.29 66.97 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.589 0.709 . . . . 0.0 109.186 173.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 89.3 mt-30 -68.85 -28.69 66.95 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.43 55.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.051 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.479 HD11 ' HG ' ' A' ' 42' ' ' LEU . 73.7 mt -93.7 -21.03 19.6 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.325 0.583 . . . . 0.0 110.025 -178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 t30 70.82 61.01 0.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 126.013 1.725 . . . . 0.0 110.806 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -135.03 157.2 47.55 Favored 'General case' 0 N--CA 1.401 -2.901 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.37 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -125.12 -175.17 3.23 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.522 0.201 . . . . 0.0 110.749 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -72.06 138.55 21.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 74.21 24.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.699 1.6 . . . . 0.0 109.713 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.04 143.21 29.57 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.32 135.43 35.2 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.198 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.434 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.5 m -129.62 155.66 41.49 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -101.3 123.66 45.76 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 mm -101.34 107.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -114.57 144.27 43.66 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -102.7 126.79 49.93 Favored 'General case' 0 N--CA 1.385 -3.702 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 46.8 t -147.93 133.82 11.95 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 61.36 22.12 12.56 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.714 1.205 . . . . 0.0 111.569 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 26.15 65.92 Favored Glycine 0 N--CA 1.437 -1.27 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.614 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 18.2 pttt -141.78 163.19 33.56 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 117.06 0.43 . . . . 0.0 110.179 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.493 ' HG ' HD11 ' A' ' 25' ' ' LEU . 65.9 mt -85.87 129.63 34.78 Favored 'General case' 0 CA--C 1.475 -1.928 0 CA-C-O 121.914 0.864 . . . . 0.0 110.711 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.53 HD12 HD12 ' A' ' 43' ' ' ILE . 40.7 mm -115.02 129.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.493 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 41.6 mm -114.05 104.57 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 43.2 tt0 -118.3 131.25 24.3 Favored Pre-proline 0 C--N 1.286 -2.157 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 3.2 Cg_exo -75.97 169.04 22.94 Favored 'Trans proline' 0 N--CA 1.426 -2.458 0 C-N-CA 121.043 1.162 . . . . 0.0 111.341 -175.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' B' ' 33' ' ' VAL . 25.9 t -104.1 113.37 40.83 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.523 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -71.39 138.92 49.55 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' B' ' 50' ' ' GLU . 41.8 mmtm -95.54 94.33 7.7 Favored 'General case' 0 N--CA 1.4 -2.973 0 C-N-CA 118.081 -1.448 . . . . 0.0 107.283 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' B' ' 49' ' ' LYS . 33.0 tt0 . . . . . 0 C--O 1.247 0.942 0 N-CA-C 103.292 -2.855 . . . . 0.0 103.292 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.499 -1.005 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -82.32 -36.31 27.06 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -112.73 132.87 55.02 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 168.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.61 -41.59 63.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-O 121.318 0.58 . . . . 0.0 110.051 -175.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -96.49 96.96 9.05 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -68.65 -36.54 78.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.334 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -74.36 -6.81 50.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.66 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -105.72 99.65 9.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -76.98 87.35 3.51 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.58 138.2 58.07 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.286 -1.325 . . . . 0.0 112.438 -178.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 25.3 ttt -136.11 133.62 37.48 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.8 m 64.43 29.84 13.29 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.076 0.86 . . . . 0.0 109.982 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.18 -34.57 78.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.826 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.07 -20.48 34.84 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.317 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -89.18 -40.82 12.62 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.661 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.67 122.98 22.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.671 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' B' ' 36' ' ' ASP . 22.4 pttp -100.58 2.62 41.98 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.625 -174.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -110.05 82.91 0.31 Allowed Glycine 0 CA--C 1.498 -1.018 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.9 mt -77.77 118.31 24.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 120.669 0.271 . . . . 0.0 110.625 -174.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -87.41 109.15 19.36 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.197 0.522 . . . . 0.0 111.003 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.473 ' OG ' HG22 ' B' ' 33' ' ' VAL . 91.1 p -107.05 -152.89 0.49 Allowed 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 123.624 0.77 . . . . 0.0 109.482 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m -160.38 131.04 5.48 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.82 110.19 4.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -104.91 167.33 9.78 Favored 'General case' 0 C--N 1.281 -2.413 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -101.15 118.17 36.45 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.304 0.573 . . . . 0.0 110.956 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -105.27 96.1 6.29 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.09 -121.63 7.16 Favored Glycine 0 N--CA 1.435 -1.381 0 N-CA-C 108.24 -1.944 . . . . 0.0 108.24 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -107.87 24.89 12.26 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 117.728 0.764 . . . . 0.0 110.502 173.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -129.05 127.38 23.33 Favored Pre-proline 0 N--CA 1.406 -2.631 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -65.75 132.23 29.99 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.164 1.909 . . . . 0.0 109.499 172.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -132.64 140.81 48.35 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.085 0.469 . . . . 0.0 111.086 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.26 130.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -79.18 129.39 34.41 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 123.425 0.453 . . . . 0.0 111.337 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -102.27 127.83 29.78 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.47 138.58 71.56 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 121.939 1.76 . . . . 0.0 110.772 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.51 -27.43 69.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.144 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 m -59.06 -43.11 91.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.657 0.783 . . . . 0.0 109.925 175.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.24 -36.92 61.25 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.512 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mmm -51.77 -52.66 47.22 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 124.345 1.028 . . . . 0.0 109.479 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -68.84 -31.53 70.57 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.657 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.87 75.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.666 0.745 . . . . 0.0 110.418 -176.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.5 mt -94.58 -4.09 48.48 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.578 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.19 29.96 19.46 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.93 1.292 . . . . 0.0 112.748 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -100.84 155.98 17.62 Favored 'General case' 0 N--CA 1.411 -2.405 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -127.85 -178.2 4.41 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.437 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.63 142.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 79.22 17.49 0.87 Allowed 'General case' 0 CA--C 1.493 -1.247 0 C-N-CA 125.475 1.51 . . . . 0.0 112.292 -177.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' B' ' 5' ' ' SER . 17.3 t70 -85.68 123.45 31.09 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' B' ' 4' ' ' SER . 31.8 tt0 -73.38 131.44 41.87 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.268 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.2 m -128.85 155.69 40.96 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.755 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -92.83 121.96 34.73 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.171 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.03 95.24 4.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 103.903 -2.628 . . . . 0.0 103.903 166.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -110.72 136.25 50.08 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 123.383 0.427 . . . . 0.0 110.093 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -93.25 131.45 38.35 Favored 'General case' 0 N--CA 1.385 -3.717 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -177.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -151.44 122.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 66.95 21.86 10.23 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.474 1.13 . . . . 0.0 110.909 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.12 11.3 74.85 Favored Glycine 0 C--N 1.317 -0.52 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.534 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HD3' HG23 ' B' ' 43' ' ' ILE . 21.5 ttmm -107.21 146.95 30.75 Favored 'General case' 0 N--CA 1.413 -2.317 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.91 122.36 34.36 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-O 121.894 0.854 . . . . 0.0 109.916 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.409 HG23 ' HD3' ' B' ' 41' ' ' LYS . 42.9 mm -100.94 122.87 53.51 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.056 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.637 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.67 115.21 48.86 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.491 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -134.58 149.41 70.83 Favored Pre-proline 0 C--N 1.287 -2.124 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -83.4 170.43 11.84 Favored 'Trans proline' 0 N--CA 1.41 -3.423 0 C-N-CA 121.568 1.512 . . . . 0.0 108.371 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.8 t -111.1 109.25 27.8 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.245 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -72.02 153.91 41.47 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.422 -171.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -95.4 97.39 9.78 Favored 'General case' 0 N--CA 1.412 -2.348 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.338 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 113.302 -1.772 . . . . 0.0 110.325 -177.401 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' -16' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' B' ' -14' ' ' LYS . 1.6 m-20 . . . . . 0 C--O 1.24 0.562 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -87.63 -36.43 17.48 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -14' ' ' LYS . . . . . 0.435 ' HE2' ' HA ' ' B' ' -11' ' ' HIS . 23.3 pttm -109.17 136.46 48.62 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 167.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 38.0 t -76.86 -41.04 32.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-O 121.493 0.663 . . . . 0.0 109.255 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -92.43 102.63 15.1 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.016 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -11' ' ' HIS . . . . . 0.435 ' HA ' ' HE2' ' B' ' -14' ' ' LYS . 33.9 m-70 -77.87 -31.18 51.23 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.498 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -79.52 -4.14 50.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.45 0.643 . . . . 0.0 111.258 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -105.81 106.55 17.11 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -82.18 87.85 6.51 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.705 0.764 . . . . 0.0 109.597 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.86 135.24 57.72 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.135 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 25.6 ttt -134.66 135.83 42.37 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 13.5 m 65.81 26.3 11.23 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.128 0.892 . . . . 0.0 110.166 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.83 -35.62 75.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.418 1.087 . . . . 0.0 112.284 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -90.39 -15.94 30.05 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.355 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.84 -39.99 12.73 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.113 0.482 . . . . 0.0 110.232 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.87 117.63 13.71 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.452 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -93.32 -15.86 25.31 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.309 -174.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -93.65 81.99 1.02 Allowed Glycine 0 CA--C 1.502 -0.759 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -76.18 121.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 C-N-CA 122.989 0.516 . . . . 0.0 111.047 -175.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -87.83 123.96 33.14 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 76.7 p -121.36 -156.2 0.67 Allowed 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.792 0.837 . . . . 0.0 109.497 -177.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 39.2 m -156.43 133.77 10.7 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.3 110.8 12.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -104.6 169.89 8.2 Favored 'General case' 0 C--N 1.282 -2.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -103.45 114.91 29.56 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 121.153 0.501 . . . . 0.0 111.538 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -102.26 95.45 6.31 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.67 -121.19 8.58 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -104.02 18.67 21.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 117.348 0.574 . . . . 0.0 111.036 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -125.47 125.74 25.07 Favored Pre-proline 0 N--CA 1.416 -2.175 0 O-C-N 121.76 -0.588 . . . . 0.0 109.656 -173.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -63.19 131.15 31.18 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.136 1.891 . . . . 0.0 109.448 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -132.44 140.3 48.36 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-O 120.974 0.416 . . . . 0.0 111.438 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.13 128.12 65.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.44 125.54 29.49 Favored 'General case' 0 C--N 1.315 -0.891 0 O-C-N 123.559 0.537 . . . . 0.0 111.49 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -98.78 127.76 34.52 Favored Pre-proline 0 C--N 1.305 -1.343 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -61.74 137.7 70.01 Favored 'Trans proline' 0 C--O 1.252 1.196 0 C-N-CA 122.16 1.907 . . . . 0.0 110.878 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -26.47 68.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.176 0.512 . . . . 0.0 110.08 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -58.35 -44.27 88.69 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.827 0.851 . . . . 0.0 109.882 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.62 -36.6 60.2 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.648 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mmm -52.09 -50.48 61.52 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.528 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.63 -30.8 68.6 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.454 -1.248 . . . . 0.0 111.759 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -38.67 74.91 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.836 0.827 . . . . 0.0 110.657 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.2 mt -95.73 -1.06 50.69 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.736 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 61.2 21.93 12.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.139 1.376 . . . . 0.0 113.121 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -96.2 153.73 17.64 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -125.74 178.97 5.39 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.39 -177.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.65 139.46 21.05 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 79.61 15.67 0.9 Allowed 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 125.859 1.664 . . . . 0.0 112.808 -176.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -83.07 123.08 29.14 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' SER . 31.3 tt0 -71.29 134.03 46.49 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.699 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.473 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -131.62 151.43 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.699 -179.031 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.75 124.77 34.45 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.55 94.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 103.507 -2.775 . . . . 0.0 103.507 165.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 0' ' ' LYS . 37.8 t70 -110.91 130.67 55.51 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.981 -174.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -88.73 130.94 35.23 Favored 'General case' 0 N--CA 1.389 -3.48 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -151.57 127.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 64.26 21.17 12.45 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.44 1.114 . . . . 0.0 110.934 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.88 70.82 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.416 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 43' ' ' ILE . 21.4 ttmm -112.36 148.16 34.85 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.62 122.24 34.01 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-O 121.707 0.765 . . . . 0.0 110.227 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.546 HG23 ' HD3' ' A' ' 41' ' ' LYS . 47.0 mm -102.33 122.58 54.8 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-N 114.13 -1.395 . . . . 0.0 108.647 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.13 115.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.644 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -135.74 146.58 57.75 Favored Pre-proline 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -85.48 161.34 11.03 Favored 'Trans proline' 0 N--CA 1.408 -3.523 0 C-N-CA 121.672 1.582 . . . . 0.0 109.09 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 15.7 t -103.98 110.68 30.96 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.691 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -76.68 150.19 36.37 Favored 'General case' 0 N--CA 1.419 -1.988 0 CA-C-N 115.135 -0.938 . . . . 0.0 111.68 -170.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -90.56 96.96 10.91 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.248 1.01 0 C-N-CA 126.0 1.72 . . . . 0.0 110.747 -177.736 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -15' ' ' HIS . . . . . 0.564 ' O ' ' HG2' ' A' ' -14' ' ' LYS . 18.9 m-70 -98.08 84.88 3.36 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -14' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' -15' ' ' HIS . 5.6 ptpp? 82.29 164.98 0.14 Allowed 'General case' 0 C--O 1.249 1.065 0 C-N-CA 128.472 2.709 . . . . 0.0 108.101 -168.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.79 104.96 6.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -85.29 107.03 17.12 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -86.52 97.8 10.7 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -104.95 88.69 2.94 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-O 121.576 0.703 . . . . 0.0 110.477 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -103.18 88.07 3.05 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -82.34 -82.72 0.13 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.337 -172.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -165.41 -36.69 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 56.2 ttm -102.74 58.04 0.78 Allowed 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 174.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 16.6 m -77.34 -0.05 24.12 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.097 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' ASP . . . . . 0.485 ' HA ' ' HB3' ' A' ' -1' ' ' ASP . 7.2 m-20 -67.28 -14.79 63.24 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.102 1.361 . . . . 0.0 110.615 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.57 -48.26 72.98 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.48 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -89.18 -16.45 31.33 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 122.186 0.993 . . . . 0.0 109.198 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' ASP . . . . . 0.485 ' HB3' ' HA ' ' A' ' -4' ' ' ASP . 14.3 t70 -77.22 91.54 3.76 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.027 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -129.79 11.78 5.7 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.59 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' B' ' 36' ' ' ASP . . . -125.03 104.87 0.8 Allowed Glycine 0 N--CA 1.42 -2.384 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.386 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.2 mt -74.94 119.05 21.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 104.73 8.31 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.496 ' OG ' HG22 ' B' ' 33' ' ' VAL . 81.5 p -96.74 -156.61 0.54 Allowed 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.697 -175.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 33.5 p -166.29 126.82 1.7 Allowed 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.7 117.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.4 mmtt -105.88 169.44 8.48 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -176.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.57 112.53 25.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.004 0.43 . . . . 0.0 111.756 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -103.27 95.71 6.28 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.88 -115.43 4.12 Favored Glycine 0 N--CA 1.422 -2.244 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -115.17 28.01 8.99 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 173.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.4 m -135.71 134.46 20.8 Favored Pre-proline 0 N--CA 1.417 -2.088 0 O-C-N 122.105 -0.372 . . . . 0.0 110.083 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 18.2 Cg_endo -67.53 126.18 14.45 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.721 2.281 . . . . 0.0 111.347 176.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.09 137.43 36.19 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.342 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG12 HD11 ' B' ' 17' ' ' ILE . 11.0 p -110.96 139.54 34.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.47 120.35 25.81 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.74 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 HG12 ' B' ' 15' ' ' VAL . 3.2 mp -92.96 130.04 37.66 Favored Pre-proline 0 C--N 1.297 -1.695 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -60.26 127.42 22.97 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 122.112 1.875 . . . . 0.0 110.782 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.72 -30.66 65.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.106 0.562 . . . . 0.0 111.189 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 m -56.63 -36.08 69.07 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.665 0.786 . . . . 0.0 110.684 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.26 -33.93 28.97 Favored 'General case' 0 CA--C 1.484 -1.574 0 C-N-CA 122.809 0.444 . . . . 0.0 111.002 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.9 -47.8 70.77 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.067 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.39 -35.33 79.09 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.171 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.71 64.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.507 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 69.7 mt -102.51 -9.57 20.09 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.867 0.842 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 t30 60.83 68.59 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.411 1.884 . . . . 0.0 112.89 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -131.32 161.27 32.72 Favored 'General case' 0 N--CA 1.402 -2.837 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.527 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -127.2 -169.33 2.02 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.147 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -77.63 145.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.43 27.04 5.06 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 125.062 1.345 . . . . 0.0 109.098 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 5' ' ' SER . 21.0 t0 -99.3 136.04 39.83 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' B' ' 4' ' ' SER . 38.6 tt0 -86.76 126.0 34.3 Favored 'General case' 0 C--N 1.28 -2.432 0 C-N-CA 124.26 1.024 . . . . 0.0 110.147 -173.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.7 m -126.77 158.86 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.192 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -91.88 121.45 33.5 Favored 'General case' 0 C--N 1.286 -2.171 0 C-N-CA 119.045 -1.062 . . . . 0.0 110.973 174.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.406 HG22 HD22 ' A' ' 42' ' ' LEU . 14.0 mm -89.85 90.26 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HA ' ' HA2' ' B' ' 1' ' ' GLY . 11.7 t70 -103.51 123.39 46.82 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -171.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -86.27 127.06 34.71 Favored 'General case' 0 N--CA 1.387 -3.589 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -143.71 124.97 10.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.052 -1.431 . . . . 0.0 108.671 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 55.64 23.05 5.78 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.253 1.421 . . . . 0.0 112.959 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.34 13.47 68.16 Favored Glycine 0 C--N 1.297 -1.609 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.576 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 158.0 33.68 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 26.0 mt -91.51 120.34 32.24 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-O 121.973 0.892 . . . . 0.0 108.959 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 50.9 mm -101.63 123.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.228 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.635 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.8 mm -107.11 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.734 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.97 133.54 23.92 Favored Pre-proline 0 C--N 1.294 -1.805 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -81.42 165.34 18.61 Favored 'Trans proline' 0 N--CA 1.401 -3.918 0 C-N-CA 120.838 1.025 . . . . 0.0 109.55 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 33' ' ' VAL . 33.5 t -94.47 105.86 17.43 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.078 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -82.18 131.3 35.24 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.148 -173.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -81.21 97.26 7.54 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 114.473 -1.239 . . . . 0.0 110.408 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.278 -2.511 0 CA-C-N 113.932 -1.486 . . . . 0.0 107.082 175.192 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 CA--C 1.509 -0.625 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' -15' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' B' ' -14' ' ' LYS . 62.0 m-70 -95.38 96.49 9.16 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 104.856 -2.275 . . . . 0.0 104.856 172.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' -14' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' B' ' -15' ' ' HIS . 6.8 ptpp? 71.93 162.54 0.26 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.941 2.496 . . . . 0.0 109.574 -169.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 64.2 t -77.21 102.16 3.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -86.06 102.13 13.56 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -77.44 110.48 12.25 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -10' ' ' HIS . . . . . 0.457 ' NE2' ' HB2' ' B' ' -8' ' ' HIS . 76.4 t60 -116.44 87.12 2.62 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 121.457 0.646 . . . . 0.0 110.045 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -99.57 91.51 4.93 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 175.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -8' ' ' HIS . . . . . 0.457 ' HB2' ' NE2' ' B' ' -10' ' ' HIS . 13.9 t-160 -80.73 -79.04 0.16 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.333 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -168.89 -53.22 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 57.1 ttm -88.65 71.83 8.76 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 8.2 m -88.89 2.41 53.79 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.299 1.047 . . . . 0.0 109.091 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.56 -14.4 61.01 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 113.841 -1.527 . . . . 0.0 110.549 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -66.71 -50.98 61.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -82.7 -25.44 32.97 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.561 0.696 . . . . 0.0 110.489 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -76.9 90.35 3.52 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.159 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -128.28 12.71 6.57 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 36' ' ' ASP . . . -122.38 107.05 1.11 Allowed Glycine 0 N--CA 1.42 -2.413 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.362 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 59.1 mt -76.35 117.51 21.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -76.02 107.75 8.45 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' SER . . . . . 0.543 ' OG ' HG22 ' A' ' 33' ' ' VAL . 64.4 p -101.44 -159.18 0.72 Allowed 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.27 -174.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 15.2 p -164.52 125.96 2.18 Favored 'General case' 0 N--CA 1.415 -2.189 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 176.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.64 112.36 16.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -101.28 174.16 6.12 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -107.78 112.47 25.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.092 0.472 . . . . 0.0 111.696 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -104.22 98.7 8.46 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.85 -120.16 5.61 Favored Glycine 0 N--CA 1.425 -2.043 0 N-CA-C 107.402 -2.279 . . . . 0.0 107.402 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -115.25 31.36 6.75 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 117.073 0.436 . . . . 0.0 110.419 172.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -134.05 135.03 23.62 Favored Pre-proline 0 N--CA 1.42 -1.953 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 18.8 Cg_endo -67.13 127.45 16.79 Favored 'Trans proline' 0 C--O 1.246 0.908 0 C-N-CA 122.891 2.394 . . . . 0.0 111.399 175.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.34 137.58 34.21 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.359 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.423 HG12 HD11 ' A' ' 17' ' ' ILE . 11.3 p -109.53 140.78 26.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.75 120.05 25.98 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -93.99 129.28 38.18 Favored Pre-proline 0 C--N 1.305 -1.356 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -59.44 127.94 25.57 Favored 'Trans proline' 0 C--O 1.253 1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 110.927 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.1 63.07 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.27 0.628 . . . . 0.0 111.197 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -58.81 -39.16 80.34 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.547 0.739 . . . . 0.0 110.387 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.38 -32.94 43.22 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.6 mmm -54.23 -48.02 71.54 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.434 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.98 -33.99 72.78 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.589 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.2 75.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.353 0.597 . . . . 0.0 111.75 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 75.3 mt -95.08 -14.95 23.79 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.393 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 66.8 70.17 0.4 Allowed 'General case' 0 C--O 1.254 1.298 0 C-N-CA 125.68 1.592 . . . . 0.0 112.483 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -133.83 160.23 38.24 Favored 'General case' 0 N--CA 1.396 -3.143 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.566 172.662 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -126.67 -171.96 2.53 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -76.74 142.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 71.07 25.49 3.68 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.196 1.798 . . . . 0.0 109.578 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 5' ' ' SER . 9.9 t70 -95.39 132.57 40.3 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.7 tt0 -82.11 127.03 32.71 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.895 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' VAL . . . . . 0.496 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.2 m -129.0 153.87 39.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.794 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -87.41 126.55 34.94 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.011 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.474 HG22 HD22 ' B' ' 42' ' ' LEU . 15.7 mm -93.33 91.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 168.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.405 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 10.6 t70 -104.67 125.03 50.38 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -86.82 125.02 33.68 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-O 122.012 0.911 . . . . 0.0 109.078 -176.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -141.83 123.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.507 0 CA-C-N 114.01 -1.45 . . . . 0.0 108.985 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 57.14 21.62 6.67 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.772 1.229 . . . . 0.0 113.215 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.18 14.54 62.15 Favored Glycine 0 C--N 1.306 -1.112 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -128.1 158.44 38.0 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 173.03 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LEU . . . . . 0.474 HD22 HG22 ' B' ' 35' ' ' ILE . 68.5 mt -90.58 120.82 31.98 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 121.84 0.829 . . . . 0.0 109.31 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 50.9 mm -102.56 126.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.32 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.821 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 46.8 mm -109.31 104.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.965 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.52 131.88 24.31 Favored Pre-proline 0 C--N 1.295 -1.793 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -80.24 164.84 21.66 Favored 'Trans proline' 0 N--CA 1.404 -3.776 0 C-N-CA 120.989 1.126 . . . . 0.0 109.45 -176.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' B' ' 33' ' ' VAL . 36.6 t -92.52 112.38 25.89 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.06 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -88.23 134.45 33.79 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.629 -172.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -83.2 97.41 8.83 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.542 -172.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.271 -2.807 0 CA-C-N 113.383 -1.735 . . . . 0.0 106.866 176.884 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.1 mt . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -85.41 142.56 29.18 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.472 ' OG ' HG22 ' B' ' 33' ' ' VAL . 82.2 p -141.38 -158.83 0.9 Allowed 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 20.9 t -161.31 134.06 6.16 Favored 'General case' 0 N--CA 1.413 -2.278 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.89 116.88 29.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -110.24 176.15 5.16 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.588 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -102.09 110.37 22.31 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.215 0.531 . . . . 0.0 111.174 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -97.91 96.46 8.2 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 -118.43 4.71 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -174.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -114.94 26.23 10.31 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 116.989 0.394 . . . . 0.0 110.354 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.6 m -131.46 141.55 42.15 Favored Pre-proline 0 N--CA 1.418 -2.071 0 O-C-N 121.94 -0.475 . . . . 0.0 110.561 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -68.5 121.04 7.95 Favored 'Trans proline' 0 C--N 1.322 -0.849 0 C-N-CA 123.251 2.634 . . . . 0.0 112.271 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.22 135.91 39.47 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG12 HD11 ' B' ' 17' ' ' ILE . 9.6 p -112.43 153.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 119.64 30.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.463 HD11 HG12 ' B' ' 15' ' ' VAL . 2.7 mp -86.62 129.36 53.16 Favored Pre-proline 0 C--N 1.302 -1.478 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.53 122.6 11.93 Favored 'Trans proline' 0 C--O 1.248 1.011 0 C-N-CA 122.308 2.005 . . . . 0.0 111.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.478 0.711 . . . . 0.0 110.612 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -60.45 -39.29 87.02 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.418 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.39 -30.81 33.52 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 121.988 -0.445 . . . . 0.0 110.972 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.9 mmm -52.75 -50.71 62.94 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.241 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -64.45 -37.61 88.13 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.058 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.83 -34.66 75.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.056 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 ' HG ' ' B' ' 42' ' ' LEU . 95.0 mt -101.23 -3.32 29.22 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.782 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.6 57.13 0.88 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.119 1.367 . . . . 0.0 113.351 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.83 158.72 37.92 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -177.35 4.21 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.862 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.9 mm -63.95 142.02 17.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.439 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 76.31 12.06 2.73 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.617 1.567 . . . . 0.0 110.609 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' B' ' 5' ' ' SER . 5.5 t0 -85.07 164.98 17.88 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.2 tt0 -111.41 130.84 55.57 Favored 'General case' 0 C--N 1.261 -3.261 0 C-N-CA 123.619 0.767 . . . . 0.0 109.555 -175.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.8 m -121.82 157.91 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.177 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.152 177.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -108.42 116.36 31.82 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.037 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -95.92 118.32 41.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.71 130.87 56.6 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.987 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -90.3 124.62 35.05 Favored 'General case' 0 N--CA 1.382 -3.873 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -139.48 108.26 3.43 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.985 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.361 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 61.46 31.89 18.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.685 0.794 . . . . 0.0 112.322 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.39 17.41 76.13 Favored Glycine 0 C--N 1.308 -1.019 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.194 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -119.58 144.28 47.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 35' ' ' ILE . 64.0 mt -94.74 118.33 31.56 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-O 122.061 0.934 . . . . 0.0 109.531 174.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.3 mm -105.43 123.18 59.58 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.122 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.105 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 49.4 mm -100.72 114.26 39.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.859 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -118.11 137.51 24.6 Favored Pre-proline 0 C--N 1.296 -1.718 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.17 165.06 9.85 Favored 'Trans proline' 0 N--CA 1.401 -3.916 0 CA-C-N 120.499 1.214 . . . . 0.0 109.318 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.263 -3.163 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -178.671 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.2 mt . . . . . 0 C--O 1.222 -0.371 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.08 137.6 32.23 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 33' ' ' VAL . 76.3 p -132.33 -153.97 0.59 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.241 -173.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 17.1 t -166.35 132.8 2.5 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.63 113.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -106.48 176.62 5.11 Favored 'General case' 0 C--N 1.275 -2.667 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.573 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -101.94 113.76 27.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 120.845 0.355 . . . . 0.0 111.167 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -103.68 98.6 8.44 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.9 -119.55 5.26 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 107.325 -2.31 . . . . 0.0 107.325 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -114.98 28.57 8.63 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 117.175 0.488 . . . . 0.0 110.132 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -132.16 140.29 37.59 Favored Pre-proline 0 N--CA 1.418 -2.062 0 O-C-N 121.797 -0.564 . . . . 0.0 110.53 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 19.7 Cg_endo -68.09 120.97 7.94 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.83 134.36 38.8 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.463 HG12 HD11 ' A' ' 17' ' ' ILE . 9.6 p -112.06 152.61 13.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.982 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 123.25 33.23 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.452 HD11 HG12 ' A' ' 15' ' ' VAL . 2.7 mp -88.2 129.76 48.58 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.41 123.69 14.17 Favored 'Trans proline' 0 C--O 1.25 1.084 0 C-N-CA 122.254 1.969 . . . . 0.0 111.578 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -25.24 67.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.665 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -61.62 -39.23 90.54 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.953 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.84 -32.22 31.27 Favored 'General case' 0 CA--C 1.478 -1.807 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 89.8 mmm -51.7 -52.2 50.11 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.481 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -63.73 -37.02 85.79 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.571 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.78 74.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.297 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -101.54 0.95 37.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 67.82 36.96 3.31 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.39 160.02 16.52 Favored 'General case' 0 N--CA 1.418 -2.055 0 O-C-N 122.004 -0.435 . . . . 0.0 110.495 174.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -176.37 4.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 123.418 0.687 . . . . 0.0 111.494 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.1 mm -65.45 141.67 17.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 t70 74.75 12.0 3.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.205 1.802 . . . . 0.0 110.711 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.0 t0 -83.36 166.75 18.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 4' ' ' SER . 31.8 tt0 -113.5 129.68 56.5 Favored 'General case' 0 C--N 1.255 -3.525 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -174.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.472 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.1 m -122.84 153.51 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.926 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.544 ' HG2' ' OD1' ' B' ' 36' ' ' ASP . 24.5 ttpp -106.27 117.65 34.59 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.321 0.582 . . . . 0.0 109.757 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.445 ' CG2' HD22 ' B' ' 42' ' ' LEU . 4.0 mp -95.4 114.31 31.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.544 ' OD1' ' HG2' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -113.53 129.53 56.54 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.176 -178.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -91.81 125.23 36.44 Favored 'General case' 0 N--CA 1.384 -3.729 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.56 110.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.995 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.493 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.03 29.5 14.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.454 0.702 . . . . 0.0 112.366 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.14 20.96 74.69 Favored Glycine 0 C--N 1.309 -0.921 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -122.98 142.66 50.59 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.445 HD22 ' CG2' ' B' ' 35' ' ' ILE . 53.4 mt -92.32 118.07 30.53 Favored 'General case' 0 CA--C 1.483 -1.62 0 CA-C-O 121.886 0.85 . . . . 0.0 109.834 175.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.04 123.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.058 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.248 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 50.4 mm -99.93 114.55 38.7 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.937 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -118.12 137.17 24.27 Favored Pre-proline 0 C--N 1.293 -1.873 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -87.11 162.07 8.64 Favored 'Trans proline' 1 N--CA 1.397 -4.18 0 CA-C-N 120.697 1.285 . . . . 0.0 109.435 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.266 -3.053 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.202 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 N--CA 1.43 -1.434 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -71.62 133.82 45.96 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.02 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.9 m -149.64 -168.23 3.05 Favored 'General case' 0 C--N 1.279 -2.479 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.485 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.5 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 67.7 m -150.59 160.47 43.78 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 118.1 0.409 . . . . 0.0 110.652 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.83 130.46 47.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HE3' ' HB2' ' A' ' 5' ' ' SER . 0.6 OUTLIER -127.48 172.52 10.62 Favored 'General case' 0 C--N 1.274 -2.68 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.081 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -107.6 120.86 43.4 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.758 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -102.3 94.82 5.91 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.07 -131.14 13.35 Favored Glycine 0 N--CA 1.427 -1.908 0 N-CA-C 107.571 -2.212 . . . . 0.0 107.571 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -93.34 8.64 39.63 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 117.869 0.834 . . . . 0.0 112.553 173.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -113.57 129.45 24.65 Favored Pre-proline 0 N--CA 1.412 -2.36 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -63.2 130.55 29.12 Favored 'Trans proline' 0 C--N 1.301 -1.945 0 C-N-CA 122.569 2.179 . . . . 0.0 110.161 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.31 138.59 45.08 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-O 121.268 0.556 . . . . 0.0 110.724 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -108.02 137.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -82.76 117.23 22.52 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.264 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.18 134.95 20.47 Favored Pre-proline 0 C--N 1.302 -1.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.949 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.33 125.74 17.64 Favored 'Trans proline' 0 C--O 1.251 1.144 0 C-N-CA 122.55 2.167 . . . . 0.0 111.139 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.74 -27.09 66.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.111 0.482 . . . . 0.0 111.328 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -60.49 -33.86 73.21 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.813 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.88 -33.2 34.51 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-O 121.214 0.53 . . . . 0.0 110.855 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 56.4 mmm -53.92 -51.81 62.56 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.292 172.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 89.5 mt-30 -62.02 -34.31 75.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.843 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.51 68.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.443 0.64 . . . . 0.0 111.243 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -98.1 -1.61 41.96 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.347 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 66.5 17.5 10.66 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.979 1.312 . . . . 0.0 113.093 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 pp -98.69 162.83 12.91 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -138.06 175.55 9.48 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 121.302 0.572 . . . . 0.0 111.7 -171.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 140.67 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 t70 81.2 6.59 1.27 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.753 1.621 . . . . 0.0 111.19 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.99 160.61 14.5 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.34 135.58 39.04 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 123.739 0.816 . . . . 0.0 110.548 -171.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.83 157.08 43.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.635 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' ' 47' ' ' VAL . 22.0 mtpp -93.32 122.71 36.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.474 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.54 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 164.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 9.1 t70 -99.47 135.56 40.7 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.45 123.57 37.94 Favored 'General case' 0 N--CA 1.393 -3.279 0 CA-C-O 121.631 0.729 . . . . 0.0 109.561 -175.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' A' ' 43' ' ' ILE . 40.6 t -141.57 126.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.467 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 59.55 21.6 10.15 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.779 1.232 . . . . 0.0 112.703 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.54 16.52 73.24 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 114.038 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -129.1 166.39 19.39 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 117.91 0.855 . . . . 0.0 110.274 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.83 125.5 33.33 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.933 0.873 . . . . 0.0 109.402 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.586 HG13 ' HB ' ' A' ' 38' ' ' VAL . 44.0 mm -116.62 139.02 45.3 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.468 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.977 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 67.6 mt -113.19 111.09 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 CA-C-O 121.92 0.867 . . . . 0.0 109.86 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 33.0 tt0 -132.33 131.48 22.37 Favored Pre-proline 0 C--N 1.277 -2.568 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -81.73 170.3 14.3 Favored 'Trans proline' 0 N--CA 1.417 -3.003 0 CA-C-N 120.161 1.093 . . . . 0.0 112.701 -171.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 34' ' ' LYS . 44.7 t . . . . . 0 C--N 1.281 -2.374 0 N-CA-C 106.263 -1.755 . . . . 0.0 106.263 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt . . . . . 0 N--CA 1.443 -0.822 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -75.28 131.83 40.6 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.401 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.5 m -143.38 -167.65 2.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.692 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.482 ' HB2' ' HE3' ' B' ' 7' ' ' LYS . 68.5 m -151.25 156.89 41.78 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 t -96.1 133.47 37.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.482 ' HE3' ' HB2' ' B' ' 5' ' ' SER . 0.6 OUTLIER -129.65 170.87 13.25 Favored 'General case' 0 C--N 1.279 -2.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 175.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -105.92 117.4 33.92 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.616 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -99.01 97.71 8.83 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -126.19 12.73 Favored Glycine 0 N--CA 1.43 -1.726 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -98.49 14.79 27.0 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 29.9 t -121.61 125.37 26.82 Favored Pre-proline 0 N--CA 1.406 -2.642 0 O-C-N 121.693 -0.629 . . . . 0.0 110.335 -174.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -59.84 128.4 26.69 Favored 'Trans proline' 0 C--O 1.246 0.912 0 C-N-CA 122.256 1.971 . . . . 0.0 109.59 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.458 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -133.12 139.13 46.93 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-O 121.134 0.492 . . . . 0.0 110.505 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.69 137.58 39.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.85 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -82.41 118.42 23.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 O-C-N 123.994 0.809 . . . . 0.0 111.261 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.48 134.75 20.07 Favored Pre-proline 0 C--N 1.3 -1.581 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -62.1 125.6 16.8 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 122.229 1.952 . . . . 0.0 110.536 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.87 -28.09 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -58.1 -35.27 71.19 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 124.017 0.927 . . . . 0.0 111.122 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.52 -31.8 47.74 Favored 'General case' 0 CA--C 1.473 -1.991 0 CA-C-O 121.079 0.466 . . . . 0.0 111.16 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' B' ' 22' ' ' MET . 64.8 mtp -57.84 -48.27 80.27 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.762 174.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.76 -35.74 79.0 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.756 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.4 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.601 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.61 -0.92 51.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 61.26 25.29 15.29 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.115 1.366 . . . . 0.0 112.729 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -105.1 159.22 16.01 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -134.73 176.06 8.98 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 121.149 0.499 . . . . 0.0 111.94 -172.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -66.6 141.18 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.23 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.8 t70 82.91 3.16 1.04 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.46 1.904 . . . . 0.0 111.317 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.96 159.0 15.95 Favored 'General case' 0 N--CA 1.42 -1.933 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.734 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -97.0 134.58 40.18 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 124.282 1.033 . . . . 0.0 110.139 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.21 155.7 42.1 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.174 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.52 ' HG3' HG22 ' B' ' 47' ' ' VAL . 22.5 mtpp -91.65 120.72 32.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.03 95.88 5.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 164.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.07 144.08 28.62 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.41 124.47 48.04 Favored 'General case' 0 N--CA 1.384 -3.746 0 CA-C-O 121.373 0.606 . . . . 0.0 109.371 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.504 ' HB ' HG13 ' B' ' 43' ' ' ILE . 39.7 t -142.93 131.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.163 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 58.88 21.84 9.58 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.85 0.86 . . . . 0.0 112.913 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.46 0.63 88.17 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.84 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -118.7 166.32 12.91 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 117.871 0.835 . . . . 0.0 111.395 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 44.9 mt -84.02 125.66 32.3 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 121.775 0.798 . . . . 0.0 109.892 -176.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.504 HG13 ' HB ' ' B' ' 38' ' ' VAL . 43.8 mm -117.88 138.81 47.35 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.266 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.034 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.27 113.68 44.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.822 0.82 . . . . 0.0 109.877 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -134.39 132.51 20.99 Favored Pre-proline 0 C--N 1.278 -2.504 0 N-CA-C 104.276 -2.49 . . . . 0.0 104.276 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -79.79 170.73 16.47 Favored 'Trans proline' 0 N--CA 1.422 -2.704 0 C-N-CA 121.141 1.227 . . . . 0.0 112.37 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.52 HG22 ' HG3' ' B' ' 34' ' ' LYS . 45.3 t . . . . . 0 C--N 1.283 -2.296 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' B' ' 35' ' ' ILE . 60.0 mt . . . . . 0 N--CA 1.424 -1.766 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -112.31 137.0 51.06 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.7 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 m -148.3 -161.3 1.31 Allowed 'General case' 0 C--N 1.277 -2.573 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.724 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -154.56 168.72 25.8 Favored 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.44 HG22 ' CG1' ' A' ' 15' ' ' VAL . 45.6 t -95.66 129.71 45.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -117.45 172.46 7.31 Favored 'General case' 0 C--N 1.284 -2.273 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.915 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -99.01 107.15 19.5 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.075 0.464 . . . . 0.0 110.921 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -92.6 93.39 8.49 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.29 -117.69 5.09 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 108.3 -1.92 . . . . 0.0 108.3 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -112.31 28.06 9.1 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.928 0.364 . . . . 0.0 111.393 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -140.35 132.97 14.68 Favored Pre-proline 0 N--CA 1.419 -1.998 0 O-C-N 121.401 -0.812 . . . . 0.0 109.906 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 10.4 Cg_endo -62.44 129.72 27.66 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 122.972 2.448 . . . . 0.0 112.3 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -137.38 140.05 41.15 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.459 HG22 HD11 ' B' ' 17' ' ' ILE . 27.5 m -110.61 145.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -89.4 122.03 32.22 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 123.43 0.456 . . . . 0.0 110.578 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 3.2 mp -91.49 125.23 58.58 Favored Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -59.39 131.75 42.51 Favored 'Trans proline' 0 C--O 1.247 0.94 0 C-N-CA 122.349 2.033 . . . . 0.0 111.739 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.39 -29.62 67.84 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.477 0.711 . . . . 0.0 110.668 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -60.06 -37.6 80.34 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.859 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -82.58 -32.27 28.55 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.847 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.3 mmm -52.73 -51.75 59.18 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.489 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.62 -36.73 84.58 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.461 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.87 76.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.502 0.668 . . . . 0.0 111.569 -174.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 HD21 ' B' ' 37' ' ' LEU . 82.8 mt -98.3 1.37 47.05 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.244 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 64.74 30.8 12.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.041 1.336 . . . . 0.0 114.278 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.6 161.92 13.28 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.055 0.455 . . . . 0.0 110.453 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -124.67 -179.95 4.72 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.785 177.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.1 mm -66.3 140.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 175.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.38 25.67 4.37 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.757 2.023 . . . . 0.0 110.192 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 6.0 t70 -85.17 134.77 34.15 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.12 133.93 44.29 Favored 'General case' 0 C--N 1.283 -2.304 0 C-N-CA 124.479 1.112 . . . . 0.0 110.179 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.8 m -133.0 149.09 31.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 121.122 0.487 . . . . 0.0 111.541 -178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -102.86 131.31 49.85 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.193 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.13 117.3 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.23 140.13 52.79 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 HD21 ' B' ' 25' ' ' LEU . 0.6 OUTLIER -94.24 124.73 38.44 Favored 'General case' 1 N--CA 1.379 -4.013 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -178.052 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.06 109.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.484 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.47 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 51.25 61.54 3.18 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.86 0.864 . . . . 0.0 112.243 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.16 -3.01 7.9 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 114.867 -1.06 . . . . 0.0 114.812 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -97.17 141.69 29.99 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 117.436 0.618 . . . . 0.0 110.791 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 16.8 mt -90.98 100.45 13.31 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 166.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.6 mm -83.58 128.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.982 0 CA-C-N 114.181 -1.372 . . . . 0.0 108.498 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.417 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.6 mm -126.92 122.38 60.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.789 0.68 . . . . 0.0 110.175 -171.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 46' ' ' PRO . 9.2 tp10 -130.39 136.12 28.49 Favored Pre-proline 0 C--N 1.293 -1.863 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.4 Cg_endo -84.32 155.07 12.51 Favored 'Trans proline' 0 N--CA 1.405 -3.677 0 C-N-CA 121.737 1.624 . . . . 0.0 109.581 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' A' ' 33' ' ' VAL . 3.8 t . . . . . 0 C--N 1.245 -3.962 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -175.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt . . . . . 0 N--CA 1.426 -1.641 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -117.93 132.16 56.44 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.635 0.731 . . . . 0.0 110.296 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 74.3 m -138.28 -161.11 1.13 Allowed 'General case' 0 C--N 1.279 -2.492 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.386 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.6 p -155.59 162.86 40.56 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.431 HG22 ' CG1' ' B' ' 15' ' ' VAL . 44.3 t -92.66 134.97 28.92 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -121.59 174.36 6.85 Favored 'General case' 0 C--N 1.279 -2.484 0 C-N-CA 119.36 -0.936 . . . . 0.0 109.508 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -103.29 106.27 16.75 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.279 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.93 93.52 9.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.12 -115.22 4.57 Favored Glycine 0 N--CA 1.426 -2.025 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -114.79 30.5 7.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.318 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 62.7 m -144.59 133.35 11.06 Favored Pre-proline 0 N--CA 1.43 -1.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.7 Cg_endo -63.78 130.36 27.59 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.036 2.491 . . . . 0.0 111.975 177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . -137.22 142.34 42.06 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.072 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 17' ' ' ILE . 29.2 m -111.6 146.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -88.1 123.96 33.3 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 123.749 0.656 . . . . 0.0 110.1 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -94.67 124.03 56.19 Favored Pre-proline 0 C--N 1.304 -1.406 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -59.64 132.15 44.07 Favored 'Trans proline' 0 C--O 1.254 1.279 0 C-N-CA 122.556 2.171 . . . . 0.0 111.653 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.83 66.84 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.968 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -59.01 -40.19 84.16 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.169 0.987 . . . . 0.0 110.33 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.51 -32.19 32.5 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.636 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 88.4 mmm -52.97 -48.78 67.17 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.468 173.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.64 -34.39 75.64 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.576 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -29.52 61.08 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.623 0.725 . . . . 0.0 111.901 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.426 HD21 HD21 ' A' ' 37' ' ' LEU . 84.5 mt -102.34 -1.3 31.22 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.231 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 65.52 38.22 5.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.514 1.126 . . . . 0.0 113.196 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -109.21 158.31 17.95 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-O 121.217 0.532 . . . . 0.0 110.713 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 0.2 OUTLIER -119.11 -177.33 3.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.756 178.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.35 140.76 17.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 71.9 24.65 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.947 2.099 . . . . 0.0 110.24 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 10.7 t70 -79.96 127.18 31.96 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.22 133.5 48.94 Favored 'General case' 0 C--N 1.287 -2.128 0 O-C-N 124.225 0.953 . . . . 0.0 109.766 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.9 m -132.98 145.82 33.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-O 120.886 0.374 . . . . 0.0 110.602 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -99.98 132.59 45.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.554 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.499 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -118.05 114.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -123.82 141.04 52.4 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.084 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -93.44 125.85 38.26 Favored 'General case' 0 N--CA 1.385 -3.69 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -178.107 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -142.57 105.11 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.434 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 52.77 62.43 2.69 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.682 1.193 . . . . 0.0 112.213 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 2.25 43.78 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 114.557 -1.201 . . . . 0.0 114.729 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -104.46 143.52 32.9 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 117.471 0.636 . . . . 0.0 110.993 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 42.9 mt -92.92 99.64 12.25 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 167.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.48 127.17 39.99 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.055 0 CA-C-N 114.028 -1.442 . . . . 0.0 108.44 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 42.1 mm -125.07 122.49 63.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.241 -172.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.409 ' OE2' ' HD2' ' B' ' 46' ' ' PRO . 8.4 tp10 -130.59 136.88 29.64 Favored Pre-proline 0 C--N 1.286 -2.159 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' OE2' ' B' ' 45' ' ' GLU . 1.5 Cg_endo -80.54 170.32 15.98 Favored 'Trans proline' 0 N--CA 1.409 -3.476 0 C-N-CA 121.541 1.494 . . . . 0.0 109.059 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' B' ' 33' ' ' VAL . 4.1 t . . . . . 0 C--N 1.261 -3.255 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' B' ' 32' ' ' GLU . 1.7 p-80 -81.7 143.86 31.56 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.536 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 76.8 p -138.44 -152.0 0.41 Allowed 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.155 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 18.4 p -159.0 134.57 8.62 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.37 105.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 173.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.77 167.23 9.85 Favored 'General case' 0 C--N 1.278 -2.505 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -102.74 118.67 37.35 Favored 'General case' 0 C--N 1.296 -1.761 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.702 -174.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -107.14 97.65 7.39 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.76 -129.61 13.66 Favored Glycine 0 N--CA 1.428 -1.851 0 N-CA-C 107.287 -2.325 . . . . 0.0 107.287 -173.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.64 27.26 8.14 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 117.355 0.578 . . . . 0.0 110.6 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -127.43 121.88 22.59 Favored Pre-proline 0 N--CA 1.425 -1.691 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -61.27 129.7 29.38 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.289 1.992 . . . . 0.0 110.478 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.95 138.96 52.83 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-O 121.073 0.463 . . . . 0.0 111.41 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.38 125.99 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.121 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -77.48 123.04 26.04 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.632 0.582 . . . . 0.0 111.189 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.55 131.87 24.11 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.16 134.39 36.45 Favored 'Trans proline' 0 C--O 1.249 1.072 0 C-N-CA 121.638 1.558 . . . . 0.0 110.272 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.09 -28.69 64.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.063 0.545 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.2 m -62.5 -38.78 91.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.345 0.658 . . . . 0.0 110.344 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -34.85 61.28 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-O 121.211 0.529 . . . . 0.0 111.093 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.7 mmm -54.69 -49.79 69.84 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.312 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.89 -37.98 89.42 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.539 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.6 87.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.464 0.649 . . . . 0.0 112.112 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 60.8 mt -93.85 -16.06 24.45 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.026 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 t30 67.14 69.65 0.39 Allowed 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.241 1.416 . . . . 0.0 111.749 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -133.66 159.99 38.85 Favored 'General case' 0 N--CA 1.4 -2.975 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 173.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -133.82 -176.97 4.35 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.9 mm -64.88 144.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 81.77 15.87 0.49 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.296 1.438 . . . . 0.0 112.516 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' B' ' 5' ' ' SER . 11.0 t70 -78.44 123.52 27.12 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.604 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 22.9 tt0 -86.7 104.31 15.97 Favored 'General case' 0 C--N 1.278 -2.534 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.562 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.4 m -100.73 161.57 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.175 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.207 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG3' HG21 ' A' ' 47' ' ' VAL . 52.6 mtmt -100.03 127.02 46.3 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.096 177.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.14 108.01 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 169.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -122.13 131.46 53.97 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.26 125.13 43.22 Favored 'General case' 0 N--CA 1.387 -3.605 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.4 t -147.53 134.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.25 21.9 12.32 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.992 0.917 . . . . 0.0 112.469 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.29 23.35 77.43 Favored Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.894 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 51.8 pttt -129.85 158.76 38.58 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 14.8 mt -88.45 118.83 28.35 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.88 120.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.951 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 47.7 mm -120.97 116.64 50.46 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.831 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.5 mt-10 -127.66 148.48 67.0 Favored Pre-proline 0 C--N 1.284 -2.28 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -89.73 154.85 5.12 Favored 'Trans proline' 0 N--CA 1.413 -3.246 0 C-N-CA 122.107 1.871 . . . . 0.0 109.19 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.604 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 32.6 t . . . . . 1 C--N 1.233 -4.471 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.084 -174.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.446 -0.638 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -82.28 136.17 35.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.637 0.732 . . . . 0.0 111.971 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.562 ' OG ' HG22 ' A' ' 33' ' ' VAL . 60.9 p -130.55 -153.24 0.55 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.225 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 34.6 p -160.44 131.41 5.61 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.69 109.12 7.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -107.71 166.71 10.49 Favored 'General case' 0 C--N 1.284 -2.267 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -101.03 120.07 39.66 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.158 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -107.62 97.44 7.17 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.6 -128.98 16.01 Favored Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -174.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -100.95 17.16 22.98 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 117.945 0.872 . . . . 0.0 112.253 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -122.05 127.92 25.75 Favored Pre-proline 0 N--CA 1.424 -1.728 0 O-C-N 122.03 -0.419 . . . . 0.0 110.017 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -62.68 130.29 29.19 Favored 'Trans proline' 0 C--O 1.244 0.783 0 C-N-CA 122.593 2.196 . . . . 0.0 110.462 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -128.36 138.94 52.59 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 120.991 0.424 . . . . 0.0 111.396 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 92.5 t -104.16 127.24 58.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.13 124.96 28.82 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 123.457 0.473 . . . . 0.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -101.42 129.66 26.43 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -65.39 134.68 39.69 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.021 1.814 . . . . 0.0 110.112 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -57.93 -30.57 66.04 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 123.187 0.595 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -62.25 -34.95 77.5 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.484 -1.577 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.83 -48.93 69.44 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.728 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 76.5 mt-30 -63.97 -38.86 92.61 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.097 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.15 76.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.222 0.534 . . . . 0.0 112.305 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 74.1 mt -99.9 -5.42 28.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 t30 60.91 64.57 1.12 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.019 1.328 . . . . 0.0 112.713 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -128.98 167.15 17.87 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -139.01 -175.9 4.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mm -69.44 144.81 13.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 82.07 13.32 0.56 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 125.121 1.368 . . . . 0.0 112.948 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 5' ' ' SER . 13.3 t70 -79.17 128.22 33.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.584 ' O ' ' HB ' ' B' ' 47' ' ' VAL . 21.5 tt0 -87.05 106.15 17.65 Favored 'General case' 0 C--N 1.285 -2.239 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.514 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.3 m -103.2 160.01 4.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.579 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.467 ' HG3' HG21 ' B' ' 47' ' ' VAL . 50.8 mtmt -98.88 129.43 45.24 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.313 0.383 . . . . 0.0 110.11 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.35 104.01 15.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 29.2 t70 -121.73 129.08 52.45 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 126.7 41.96 Favored 'General case' 0 N--CA 1.39 -3.438 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -175.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 50.3 t -146.7 134.73 15.3 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.213 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.48 22.06 7.64 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 124.011 0.925 . . . . 0.0 113.265 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.17 21.54 77.86 Favored Glycine 0 N--CA 1.437 -1.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.772 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 47.5 pttt -130.18 158.74 38.87 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 176.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 42.7 mt -86.24 118.16 25.51 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 39.7 mm -98.12 119.84 46.67 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.986 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 48.3 mm -120.32 115.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.92 -174.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.94 148.81 61.11 Favored Pre-proline 0 C--N 1.283 -2.29 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -89.39 155.86 5.45 Favored 'Trans proline' 0 N--CA 1.41 -3.396 0 C-N-CA 121.887 1.725 . . . . 0.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' B' ' 32' ' ' GLU . 21.2 t . . . . . 0 C--N 1.248 -3.831 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.274 -174.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.6 mt . . . . . 0 C--O 1.223 -0.33 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -90.48 135.21 33.83 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.273 0.558 . . . . 0.0 110.764 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 47.3 m -149.14 -166.64 2.61 Favored 'General case' 0 C--N 1.279 -2.459 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.585 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 8.2 p -145.14 158.19 43.89 Favored 'General case' 0 N--CA 1.417 -2.093 0 CA-C-O 121.169 0.509 . . . . 0.0 110.829 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -93.58 117.18 36.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.585 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 57.6 mttm -117.49 172.05 7.59 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.112 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -98.87 118.66 36.13 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.552 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -112.55 94.09 4.75 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.93 -128.56 11.08 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 108.159 -1.976 . . . . 0.0 108.159 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -100.83 29.48 4.53 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -132.97 120.69 16.48 Favored Pre-proline 0 N--CA 1.414 -2.253 0 O-C-N 121.142 -0.973 . . . . 0.0 110.959 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -66.1 121.89 9.3 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.916 1.744 . . . . 0.0 110.216 172.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.62 145.1 51.82 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -113.02 143.6 22.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -81.24 129.33 34.55 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.594 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.9 130.65 22.51 Favored Pre-proline 0 C--N 1.311 -1.085 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -63.25 136.05 53.62 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.847 1.698 . . . . 0.0 111.242 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 23' ' ' GLN . . . -62.63 -27.41 69.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.098 0.475 . . . . 0.0 110.183 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -58.58 -39.43 80.31 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.408 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.46 -34.79 54.34 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-O 121.03 0.443 . . . . 0.0 110.633 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 84.4 mmm -53.63 -49.97 66.73 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.38 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 83.6 mm-40 -69.49 -32.88 72.03 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.508 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.37 75.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.414 0.626 . . . . 0.0 111.913 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.33 -2.86 23.42 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.594 0.711 . . . . 0.0 110.525 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.9 t30 55.59 63.73 1.97 Allowed 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 126.107 1.763 . . . . 0.0 113.305 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 158.85 26.83 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -124.73 179.04 5.15 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -69.38 135.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.032 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 71.47 27.3 3.08 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.84 1.656 . . . . 0.0 111.441 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -94.44 149.81 20.88 Favored 'General case' 0 N--CA 1.422 -1.858 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' B' ' 4' ' ' SER . 33.1 tt0 -90.64 137.59 32.24 Favored 'General case' 0 C--N 1.275 -2.642 0 O-C-N 123.717 0.635 . . . . 0.0 111.799 -170.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.5 m -135.5 158.33 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.102 0.477 . . . . 0.0 111.699 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' HG22 ' A' ' 47' ' ' VAL . 52.9 mtmt -98.93 131.2 45.18 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.497 174.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.48 129.58 71.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 173.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -138.71 154.68 48.59 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -103.22 120.12 40.14 Favored 'General case' 1 N--CA 1.372 -4.355 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -143.41 124.55 10.74 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.627 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 61.23 24.04 14.19 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.372 1.082 . . . . 0.0 111.47 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.84 19.29 58.17 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.53 -0.759 . . . . 0.0 113.976 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 159.05 43.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 117.444 0.622 . . . . 0.0 109.428 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -91.14 120.84 32.42 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.238 1.018 . . . . 0.0 109.113 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -99.29 117.08 43.9 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.361 0 CA-C-N 113.491 -1.686 . . . . 0.0 108.173 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.86 104.9 17.81 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.971 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 31.0 tt0 -124.04 118.48 26.8 Favored Pre-proline 0 C--N 1.291 -1.94 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 7.6 Cg_endo -57.83 151.84 53.87 Favored 'Trans proline' 0 N--CA 1.431 -2.184 0 C-N-CA 124.017 3.144 . . . . 0.0 111.583 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.7 t . . . . . 0 C--N 1.269 -2.933 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 -178.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -96.25 122.62 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.655 0.74 . . . . 0.0 111.865 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 60.1 m -134.22 -164.65 1.53 Allowed 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.851 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.607 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 5.7 p -143.39 167.06 23.07 Favored 'General case' 0 N--CA 1.414 -2.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.61 113.37 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.607 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 61.4 mttm -112.49 171.0 7.78 Favored 'General case' 0 C--N 1.264 -3.134 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.458 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -95.15 118.78 32.53 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.151 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -113.18 94.22 4.78 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.77 -127.24 10.27 Favored Glycine 0 N--CA 1.428 -1.885 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -97.47 14.38 26.6 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.772 0.796 . . . . 0.0 110.116 174.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -121.33 125.97 26.71 Favored Pre-proline 0 N--CA 1.405 -2.704 0 O-C-N 120.815 -1.178 . . . . 0.0 109.893 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.57 127.07 16.52 Favored 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 121.891 1.727 . . . . 0.0 109.67 171.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.84 145.87 48.72 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -114.85 140.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.99 128.41 33.23 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 123.653 0.596 . . . . 0.0 112.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.75 132.06 21.21 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -64.77 136.96 51.64 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.848 1.699 . . . . 0.0 110.998 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -63.77 -26.82 68.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -60.53 -37.13 80.21 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.264 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -33.99 48.17 Favored 'General case' 0 CA--C 1.482 -1.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.529 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.7 mmm -54.09 -50.96 65.64 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.413 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.63 -33.02 73.29 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.134 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -28.11 69.28 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.16 6.34 16.26 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.989 0.899 . . . . 0.0 110.058 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 66.9 t30 47.57 62.37 2.48 Favored 'General case' 0 C--O 1.25 1.111 0 C-N-CA 126.902 2.081 . . . . 0.0 113.799 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.97 156.19 28.94 Favored 'General case' 0 N--CA 1.392 -3.345 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 172.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -125.84 -179.43 4.67 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.52 138.96 21.42 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-O 120.875 0.369 . . . . 0.0 110.224 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 71.07 25.73 3.63 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 126.287 1.835 . . . . 0.0 111.687 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -92.76 144.38 25.35 Favored 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.3 tt0 -87.27 135.31 33.36 Favored 'General case' 0 C--N 1.281 -2.407 0 O-C-N 123.646 0.591 . . . . 0.0 111.428 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.527 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -135.16 155.57 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.201 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -96.3 131.66 42.58 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.755 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.31 127.44 71.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -137.57 150.53 47.54 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.29 119.07 36.32 Favored 'General case' 1 N--CA 1.375 -4.22 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 175.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -143.06 128.69 16.41 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.733 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.471 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 58.77 22.67 10.33 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 122.261 1.029 . . . . 0.0 112.016 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.43 61.39 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.579 -0.82 . . . . 0.0 113.452 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 161.91 35.88 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 122.526 -0.396 . . . . 0.0 109.966 177.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -92.92 119.4 32.18 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-O 122.145 0.974 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -98.06 119.13 45.67 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.45 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.551 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.6 mm -109.33 106.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.909 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 33.1 tt0 -125.34 115.08 25.6 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 7.9 Cg_endo -57.66 150.95 58.25 Favored 'Trans proline' 0 N--CA 1.433 -2.081 0 C-N-CA 123.764 2.976 . . . . 0.0 111.739 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' B' ' 33' ' ' VAL . 22.8 t . . . . . 0 C--N 1.266 -3.049 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -177.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.3 mt . . . . . 0 N--CA 1.442 -0.857 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -137.94 122.56 18.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 122.141 0.972 . . . . 0.0 110.886 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.8 m -132.34 -160.13 1.02 Allowed 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.264 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.563 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 12.7 p -150.57 155.34 39.24 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 118.042 0.383 . . . . 0.0 110.551 -178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -82.52 122.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -111.3 166.91 10.7 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.62 119.88 39.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.578 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -105.54 93.05 4.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.62 -112.72 3.61 Favored Glycine 0 N--CA 1.431 -1.696 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -108.54 16.82 22.66 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -135.37 138.31 28.48 Favored Pre-proline 0 N--CA 1.417 -2.076 0 O-C-N 120.744 -1.223 . . . . 0.0 111.144 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -66.8 125.59 13.98 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 123.316 2.678 . . . . 0.0 111.482 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.64 142.26 45.16 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.196 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.01 139.4 35.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -80.69 126.09 30.85 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 123.665 0.603 . . . . 0.0 109.801 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -97.81 129.81 30.41 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 132.93 43.8 Favored 'Trans proline' 0 C--O 1.258 1.496 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.41 -29.51 66.14 Favored 'General case' 0 C--O 1.213 -0.863 0 C-N-CA 123.38 0.672 . . . . 0.0 111.006 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -54.26 -40.43 67.78 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 123.561 0.744 . . . . 0.0 111.428 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HG ' HD21 ' B' ' 42' ' ' LEU . 3.8 mm? -78.89 -35.14 44.08 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.819 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 83.2 mmm -52.26 -45.79 65.53 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.427 -1.261 . . . . 0.0 109.075 173.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 46.8 mt-30 -80.83 -19.25 45.05 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.581 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -40.16 48.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.046 0.927 . . . . 0.0 109.484 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.5 -19.16 20.78 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.272 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 70.08 69.59 0.22 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 113.593 -1.64 . . . . 0.0 112.034 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -126.69 174.1 8.99 Favored 'General case' 0 N--CA 1.408 -2.57 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -142.54 -169.9 3.08 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.96 140.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-O 121.183 0.516 . . . . 0.0 112.146 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 t70 74.04 20.51 2.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.69 1.996 . . . . 0.0 110.154 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.29 134.25 34.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -70.27 139.73 52.2 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.3 -176.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.437 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.4 m -133.56 151.09 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 CA-C-O 121.198 0.523 . . . . 0.0 110.789 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HG3' HG22 ' A' ' 47' ' ' VAL . 8.9 mtmp? -95.09 133.85 38.44 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.903 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.2 mp -110.4 103.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.653 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 28.1 m-20 -97.43 124.92 41.79 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -99.32 131.26 45.47 Favored 'General case' 0 N--CA 1.38 -3.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -172.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -145.02 110.09 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.873 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 64.19 22.17 12.77 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 123.42 0.688 . . . . 0.0 112.462 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 -0.51 89.15 Favored Glycine 0 C--N 1.3 -1.45 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.145 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -87.73 133.37 33.86 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.536 HD21 ' HG ' ' B' ' 21' ' ' LEU . 23.1 mt -91.47 114.98 27.65 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 121.881 0.848 . . . . 0.0 111.813 -176.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.7 mp -99.65 121.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.171 176.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -107.5 114.54 46.53 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.032 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.178 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 41.8 tt0 -136.36 110.83 9.81 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.509 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 6.2 Cg_endo -48.32 157.71 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.771 2.981 . . . . 0.0 113.306 171.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.6 t . . . . . 0 C--N 1.268 -2.969 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.15 138.08 46.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.436 0.636 . . . . 0.0 109.997 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.5 m -146.36 -159.28 1.0 Allowed 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.593 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.1 p -150.86 153.73 35.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 118.322 0.51 . . . . 0.0 110.903 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.46 123.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.593 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.7 mmtt -112.55 167.83 10.15 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -102.73 116.56 32.83 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.81 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -103.52 94.14 5.32 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -115.15 4.11 Favored Glycine 0 N--CA 1.423 -2.172 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.02 22.63 14.63 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.163 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -139.04 139.3 22.97 Favored Pre-proline 0 N--CA 1.417 -2.105 0 O-C-N 120.984 -1.072 . . . . 0.0 110.475 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.77 126.9 16.08 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 123.382 2.722 . . . . 0.0 111.665 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.71 140.66 46.14 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.23 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.17 138.34 38.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -80.93 125.94 30.76 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 123.584 0.553 . . . . 0.0 110.026 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -95.22 132.05 28.7 Favored Pre-proline 0 C--N 1.305 -1.329 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.36 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.45 129.23 27.34 Favored 'Trans proline' 0 C--O 1.256 1.388 0 C-N-CA 122.668 2.245 . . . . 0.0 111.39 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -59.58 -25.28 64.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.24 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -58.25 -37.68 75.39 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.952 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.536 ' HG ' HD21 ' A' ' 42' ' ' LEU . 3.8 mm? -80.59 -35.56 34.01 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 120.998 0.428 . . . . 0.0 110.529 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.4 mmm -51.63 -47.12 63.8 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.975 173.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.75 -24.49 52.98 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.981 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.9 62.14 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-O 122.052 0.93 . . . . 0.0 110.006 -171.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.59 -25.17 19.32 Favored 'General case' 0 C--N 1.284 -2.27 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.377 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 76.53 69.86 0.07 Allowed 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.478 -1.692 . . . . 0.0 112.18 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.6 178.22 5.54 Favored 'General case' 0 N--CA 1.402 -2.836 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.617 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -142.85 -172.12 3.59 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 123.246 0.618 . . . . 0.0 109.465 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 28.4 mm -72.13 138.75 20.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.904 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 74.58 25.88 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 126.197 1.799 . . . . 0.0 109.674 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -94.91 135.2 36.71 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.48 138.04 48.67 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.267 1.027 . . . . 0.0 111.613 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -133.87 149.0 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-O 120.983 0.421 . . . . 0.0 109.905 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' B' ' 47' ' ' VAL . 9.4 mtmp? -93.44 135.24 34.87 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.32 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.0 mp -109.42 105.19 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.221 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 173.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.616 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 12.7 m-20 -97.89 128.8 44.72 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -102.29 131.77 48.66 Favored 'General case' 0 N--CA 1.383 -3.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -172.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -145.91 110.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.903 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 62.87 21.47 12.85 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.578 1.151 . . . . 0.0 112.859 176.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.36 -0.47 85.47 Favored Glycine 0 C--N 1.305 -1.157 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.59 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -87.72 132.63 34.06 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.475 HD21 ' HG ' ' A' ' 21' ' ' LEU . 54.7 mt -90.57 113.08 25.01 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.854 0.835 . . . . 0.0 112.266 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.7 mp -98.01 120.56 47.5 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.371 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.9 mm -107.9 116.31 51.02 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-N 114.087 -1.415 . . . . 0.0 109.16 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.48 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.2 tt0 -139.51 110.67 7.53 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.675 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.48 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.7 Cg_endo -47.75 156.97 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.117 3.212 . . . . 0.0 113.6 172.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' B' ' 33' ' ' VAL . 21.8 t . . . . . 0 C--N 1.272 -2.795 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.0 mt . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -103.57 100.72 10.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.408 1.099 . . . . 0.0 110.37 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -112.6 -165.12 0.96 Allowed 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -148.03 157.2 43.39 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -176.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.5 t -86.32 126.9 40.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -114.96 168.89 9.51 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -103.75 118.44 36.71 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.128 0.49 . . . . 0.0 111.412 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -104.69 96.32 6.5 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.1 -122.38 6.16 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 107.603 -2.199 . . . . 0.0 107.603 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.29 26.25 10.85 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.826 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -132.83 134.78 24.97 Favored Pre-proline 0 N--CA 1.427 -1.623 0 O-C-N 121.65 -0.656 . . . . 0.0 110.385 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -65.43 126.68 16.65 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 123.137 2.558 . . . . 0.0 111.787 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.04 144.66 50.18 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 p -121.35 139.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -80.57 126.94 31.87 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.872 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -87.7 127.58 57.68 Favored Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.89 132.82 49.82 Favored 'Trans proline' 0 C--O 1.252 1.179 0 C-N-CA 121.799 1.666 . . . . 0.0 111.11 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.92 68.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.382 0.61 . . . . 0.0 109.664 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -59.2 -39.72 83.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.021 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.12 -37.69 33.08 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-O 120.796 0.332 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -48.85 -49.48 39.17 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.083 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.92 -18.79 45.94 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.834 -1.076 . . . . 0.0 113.056 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -34.51 65.65 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.881 0.848 . . . . 0.0 109.638 -174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 2.4 mm? -96.52 -27.08 15.03 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.872 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 70.53 68.88 0.2 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.749 1.619 . . . . 0.0 109.674 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.24 167.09 11.84 Favored 'General case' 0 N--CA 1.415 -2.2 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -129.37 -172.85 2.85 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -75.97 143.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.07 28.3 2.53 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 124.423 1.089 . . . . 0.0 110.812 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.52 132.15 44.18 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.48 139.23 57.02 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 124.377 1.071 . . . . 0.0 110.67 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.503 ' HA ' HG23 ' A' ' 47' ' ' VAL . 5.1 m -131.83 149.6 32.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 CA-C-O 120.764 0.316 . . . . 0.0 110.405 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -94.42 126.91 39.99 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.94 106.55 18.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.61 138.3 53.43 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.62 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.13 126.86 35.34 Favored 'General case' 0 N--CA 1.398 -3.064 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.73 123.87 4.83 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.527 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.749 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 60.37 20.74 10.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.8 1.24 . . . . 0.0 111.76 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.7 -2.17 79.73 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.625 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 156.86 19.88 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 117.899 0.849 . . . . 0.0 109.274 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.1 mt -90.99 117.6 29.71 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-O 122.121 0.962 . . . . 0.0 109.051 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -87.53 100.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 CA-C-N 113.233 -1.803 . . . . 0.0 106.911 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.477 HD12 HD12 ' B' ' 44' ' ' ILE . 60.4 mt -111.56 104.76 17.57 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.316 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.104 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 39.4 tt0 -120.5 108.43 37.61 Favored Pre-proline 0 C--N 1.282 -2.346 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.735 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 11.4 Cg_endo -54.69 150.58 35.44 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 121.968 1.779 . . . . 0.0 110.235 169.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 33' ' ' VAL . 10.6 t . . . . . 0 C--N 1.254 -3.549 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.213 -173.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.5 mt . . . . . 0 N--CA 1.431 -1.402 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -97.27 104.37 16.38 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 122.434 1.111 . . . . 0.0 110.548 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.4 m -114.06 -164.78 0.95 Allowed 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.894 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -150.48 156.71 41.97 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -85.53 124.85 40.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -110.88 172.0 7.13 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -108.06 115.35 29.97 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -102.11 94.83 5.96 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.84 5.3 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -111.46 28.06 9.09 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.4 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.3 m -136.73 136.14 21.23 Favored Pre-proline 0 N--CA 1.417 -2.098 0 O-C-N 121.626 -0.672 . . . . 0.0 110.292 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.83 126.43 15.95 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 123.067 2.511 . . . . 0.0 111.513 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 143.83 50.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.734 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -121.87 138.15 53.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -81.74 123.25 28.59 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.622 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -84.06 128.25 63.46 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.31 133.85 55.13 Favored 'Trans proline' 0 C--O 1.251 1.126 0 C-N-CA 121.872 1.715 . . . . 0.0 111.392 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -27.85 68.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.393 0.616 . . . . 0.0 109.613 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -59.78 -38.91 83.2 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.395 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.77 -37.92 26.44 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.044 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.1 mmm -49.42 -49.33 45.45 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.372 1.045 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -82.09 -18.2 43.86 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.854 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.03 73.72 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 122.083 0.944 . . . . 0.0 109.117 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.412 ' HB2' HD23 ' B' ' 27' ' ' LEU . 2.2 mm? -95.12 -25.46 16.42 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.061 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 67.93 70.54 0.33 Allowed 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 125.547 1.539 . . . . 0.0 109.544 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -118.87 169.02 10.22 Favored 'General case' 0 N--CA 1.411 -2.415 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -130.51 -175.68 3.73 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.35 145.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.45 27.65 3.03 Favored 'General case' 0 CA--C 1.49 -1.347 0 C-N-CA 124.232 1.013 . . . . 0.0 111.267 -177.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -100.27 136.39 40.23 Favored 'General case' 0 N--CA 1.423 -1.794 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.73 138.72 50.78 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 124.17 0.988 . . . . 0.0 110.896 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.464 ' HA ' HG23 ' B' ' 47' ' ' VAL . 4.6 m -131.23 149.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -92.86 128.73 38.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.541 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.76 105.96 17.31 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -127.6 136.75 52.09 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.99 128.28 35.08 Favored 'General case' 0 N--CA 1.397 -3.084 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -146.41 123.47 3.74 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.906 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 57.02 29.4 16.38 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.947 0.899 . . . . 0.0 112.156 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.42 -3.77 86.74 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.121 -0.561 . . . . 0.0 114.205 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 154.61 25.19 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 117.917 0.858 . . . . 0.0 109.378 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.79 116.76 26.16 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-O 121.856 0.836 . . . . 0.0 108.929 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mm -86.23 100.98 9.95 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.067 0 CA-C-N 113.608 -1.633 . . . . 0.0 106.853 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 44' ' ' ILE . 62.9 mt -111.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.942 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 36.4 tt0 -125.64 109.42 25.77 Favored Pre-proline 0 C--N 1.275 -2.67 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.659 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 10.5 Cg_endo -53.52 150.52 27.13 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 C-N-CA 122.186 1.924 . . . . 0.0 110.65 170.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.464 HG23 ' HA ' ' B' ' 33' ' ' VAL . 12.5 t . . . . . 0 C--N 1.259 -3.362 0 CA-C-N 115.432 -0.803 . . . . 0.0 108.876 -174.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 N--CA 1.436 -1.139 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.423 ' HA ' ' O ' ' B' ' 33' ' ' VAL . 12.7 m-70 -90.81 119.54 31.11 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.297 0.57 . . . . 0.0 111.871 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.455 ' OG ' HG22 ' B' ' 33' ' ' VAL . 97.0 p -110.18 -143.66 0.39 Allowed 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' B' ' 32' ' ' GLU . 26.2 t -160.91 137.94 8.93 Favored 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 15' ' ' VAL . 88.0 t -80.16 115.73 23.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 174.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -110.85 176.34 5.07 Favored 'General case' 0 N--CA 1.413 -2.281 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.94 115.62 30.12 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.786 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -105.56 96.08 6.26 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.86 -122.47 5.86 Favored Glycine 0 N--CA 1.431 -1.643 0 N-CA-C 107.173 -2.371 . . . . 0.0 107.173 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -110.72 26.99 10.1 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 117.395 0.597 . . . . 0.0 110.136 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 m -129.24 131.84 23.92 Favored Pre-proline 0 N--CA 1.417 -2.092 0 O-C-N 121.787 -0.571 . . . . 0.0 109.876 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.519 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.8 Cg_endo -64.79 122.05 9.77 Favored 'Trans proline' 0 C--N 1.317 -1.109 0 C-N-CA 122.499 2.133 . . . . 0.0 110.908 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.42 132.82 50.03 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.814 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 6' ' ' VAL . 88.4 t -104.19 137.75 31.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -78.75 116.46 19.11 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 123.768 0.667 . . . . 0.0 109.551 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.2 mp -95.89 139.95 22.07 Favored Pre-proline 0 C--N 1.305 -1.369 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -69.09 121.63 8.47 Favored 'Trans proline' 0 C--O 1.255 1.357 0 C-N-CA 121.345 1.364 . . . . 0.0 110.117 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.44 -24.3 67.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.25 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -55.09 -28.48 52.76 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.597 1.159 . . . . 0.0 111.986 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.22 -33.04 26.2 Favored 'General case' 0 CA--C 1.49 -1.346 0 CA-C-O 121.505 0.669 . . . . 0.0 111.019 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtp -61.93 -45.65 92.75 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -68.94 -24.45 64.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.051 -1.431 . . . . 0.0 112.208 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.92 85.42 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.1 -20.72 21.72 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.179 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 75.08 70.0 0.09 Allowed 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.807 1.243 . . . . 0.0 111.019 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 46' ' ' PRO . 4.4 pp -134.7 175.2 9.77 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.56 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.444 HD22 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -136.44 167.81 20.64 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 122.672 0.389 . . . . 0.0 110.198 -178.063 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.4 mm -48.88 148.51 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.431 0 O-C-N 124.864 1.353 . . . . 0.0 111.139 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 t70 87.31 10.94 0.14 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.471 1.509 . . . . 0.0 109.969 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' OD1' ' HB ' ' B' ' 6' ' ' VAL . 8.1 p-10 -79.6 -174.4 4.27 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' B' ' 5' ' ' SER . 9.2 pt-20 -131.34 159.47 37.84 Favored 'General case' 0 C--N 1.286 -2.167 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.022 -175.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.578 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.6 m -133.89 145.12 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.929 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.082 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -93.57 104.93 17.02 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.571 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mp -87.3 121.2 37.68 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.37 141.25 48.83 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.65 130.76 45.17 Favored 'General case' 0 N--CA 1.383 -3.79 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.57 107.17 2.24 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.816 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.708 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 29.4 t70 48.99 62.49 2.57 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.48 1.112 . . . . 0.0 113.346 176.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.93 -12.02 9.86 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.358 0.903 . . . . 0.0 115.358 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HD3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -115.48 150.19 36.9 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 118.61 1.205 . . . . 0.0 110.915 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -97.41 126.69 42.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.792 0.806 . . . . 0.0 109.114 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mm -91.82 110.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.229 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -111.77 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.875 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.313 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 34.4 tt0 -118.39 101.47 51.06 Favored Pre-proline 0 C--N 1.298 -1.653 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HB2' HD21 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -55.7 142.73 82.2 Favored 'Trans proline' 0 C--O 1.247 0.974 0 C-N-CA 123.088 2.525 . . . . 0.0 112.676 172.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.257 -3.452 0 CA-C-N 113.238 -1.801 . . . . 0.0 111.193 -176.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 76.8 mt . . . . . 0 N--CA 1.438 -1.045 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 11.8 m170 -90.12 118.19 29.46 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.102 0.477 . . . . 0.0 111.602 -176.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.578 ' OG ' HG22 ' A' ' 33' ' ' VAL . 93.7 p -107.7 -148.95 0.43 Allowed 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 31.4 t -156.48 138.24 14.24 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.425 HG22 HG22 ' B' ' 15' ' ' VAL . 92.3 t -80.24 114.7 21.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -110.58 169.74 8.55 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -101.97 118.84 37.75 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.158 0.504 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -109.49 97.78 7.28 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 -119.54 5.53 Favored Glycine 0 N--CA 1.434 -1.475 0 N-CA-C 108.173 -1.971 . . . . 0.0 108.173 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -111.18 25.27 11.92 Favored 'General case' 0 C--N 1.288 -2.081 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.935 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -129.14 134.71 26.61 Favored Pre-proline 0 N--CA 1.412 -2.342 0 O-C-N 121.641 -0.662 . . . . 0.0 109.818 -175.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 15.1 Cg_endo -66.42 121.27 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.635 2.224 . . . . 0.0 109.869 172.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -126.81 132.14 51.08 Favored 'General case' 0 N--CA 1.412 -2.36 0 CA-C-O 121.259 0.552 . . . . 0.0 109.755 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.425 HG22 HG22 ' B' ' 6' ' ' VAL . 91.5 t -102.58 137.92 28.8 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -79.35 113.26 17.35 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 123.625 0.578 . . . . 0.0 109.742 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.2 mp -93.6 137.6 23.25 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -67.61 121.87 9.0 Favored 'Trans proline' 0 C--O 1.254 1.277 0 C-N-CA 121.415 1.41 . . . . 0.0 110.078 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -24.0 67.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 111.484 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -54.43 -27.75 39.25 Favored 'General case' 0 CA--C 1.575 1.923 0 C-N-CA 124.891 1.277 . . . . 0.0 111.919 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.6 -33.15 23.41 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 121.481 0.658 . . . . 0.0 111.17 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.409 ' O ' ' HG ' ' B' ' 27' ' ' LEU . 78.3 mtp -61.57 -44.46 96.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.9 -26.4 65.08 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.794 -1.548 . . . . 0.0 111.979 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.12 71.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.296 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.48 -15.68 21.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.966 -0.693 . . . . 0.0 109.332 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 71.31 68.87 0.17 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.411 1.084 . . . . 0.0 112.112 -173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' B' ' 46' ' ' PRO . 4.5 pp -134.95 174.97 10.0 Favored 'General case' 0 N--CA 1.409 -2.486 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.821 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 171.43 14.51 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.042 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.9 mm -52.14 148.21 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.246 0 O-C-N 124.734 1.271 . . . . 0.0 111.422 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 25.4 t70 88.77 10.72 0.09 Allowed 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 125.865 1.666 . . . . 0.0 110.262 177.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.419 ' OD1' ' HB ' ' A' ' 6' ' ' VAL . 8.5 p-10 -79.8 -174.82 4.57 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 9.2 pt-20 -130.08 158.71 38.89 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.109 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.455 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.4 m -134.71 143.35 37.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.04 -1.064 . . . . 0.0 109.716 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -92.24 103.46 15.92 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.001 0.813 . . . . 0.0 110.344 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.39 118.69 32.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -130.53 139.78 50.49 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 174.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.79 130.38 44.06 Favored 'General case' 0 N--CA 1.388 -3.547 0 N-CA-C 107.346 -1.354 . . . . 0.0 107.346 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.13 106.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.677 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.007 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.561 ' O ' ' HD3' ' B' ' 41' ' ' LYS . 31.3 t70 48.89 62.77 2.42 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.358 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.0 -15.12 8.87 Favored Glycine 0 C--N 1.306 -1.137 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 0.0 OUTLIER -114.87 151.52 33.8 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-N 118.29 1.045 . . . . 0.0 111.375 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.57 126.06 41.48 Favored 'General case' 0 N--CA 1.416 -2.145 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.188 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.31 110.91 23.08 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.366 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.24 104.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.858 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.25 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -119.22 104.66 45.67 Favored Pre-proline 0 C--N 1.289 -2.031 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.721 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.522 ' HB2' HD21 ' B' ' 27' ' ' LEU . 18.4 Cg_endo -55.74 144.54 75.84 Favored 'Trans proline' 0 C--O 1.252 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.679 171.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--N 1.256 -3.474 0 CA-C-N 113.443 -1.708 . . . . 0.0 111.472 -178.652 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 61.2 mt . . . . . 0 N--CA 1.434 -1.26 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -95.1 101.35 13.09 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 122.303 1.049 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 m -106.01 -164.01 0.98 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 113.955 -1.475 . . . . 0.0 110.461 -176.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -157.76 171.99 19.31 Favored 'General case' 0 N--CA 1.423 -1.813 0 CA-C-O 120.81 0.338 . . . . 0.0 110.268 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.6 t -115.93 118.14 57.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -113.75 173.41 6.44 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.637 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -102.94 116.56 32.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.552 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -109.12 98.38 7.84 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.98 -129.07 12.44 Favored Glycine 0 N--CA 1.424 -2.103 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -174.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -95.99 13.68 26.18 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-N 117.45 0.625 . . . . 0.0 110.548 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 m -123.43 127.46 25.56 Favored Pre-proline 0 N--CA 1.404 -2.76 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.591 -170.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -61.61 125.25 16.29 Favored 'Trans proline' 0 N--CA 1.44 -1.66 0 C-N-CA 122.0 1.8 . . . . 0.0 109.181 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -123.47 139.72 53.73 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-O 120.931 0.396 . . . . 0.0 110.802 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' B' ' 14' ' ' ALA . 92.4 t -104.63 130.05 56.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -83.05 107.66 15.79 Favored 'General case' 0 N--CA 1.436 -1.133 0 O-C-N 123.63 0.582 . . . . 0.0 110.53 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.5 mm -87.96 126.82 59.94 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -62.96 132.56 37.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 121.601 1.534 . . . . 0.0 110.499 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.09 68.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -57.93 -39.93 79.21 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.083 0.953 . . . . 0.0 110.414 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.98 -33.85 44.7 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.919 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.0 mmm -55.32 -46.55 76.31 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.677 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.21 -36.6 79.78 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.99 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.78 69.21 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.16 0.505 . . . . 0.0 112.204 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 81.0 mt -99.32 -8.36 25.0 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.273 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.4 t30 59.93 66.94 0.92 Allowed 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 125.88 1.672 . . . . 0.0 113.531 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -130.24 171.53 12.79 Favored 'General case' 0 N--CA 1.406 -2.65 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.285 172.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -137.78 -175.24 4.02 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.69 139.46 19.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.306 0.574 . . . . 0.0 110.11 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 64.09 50.38 2.47 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 126.367 1.867 . . . . 0.0 109.556 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -110.32 132.83 53.83 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 170.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.4 tt0 -83.37 132.89 34.97 Favored 'General case' 0 N--CA 1.414 -2.261 0 O-C-N 123.56 0.537 . . . . 0.0 110.0 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.537 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.0 m -129.78 157.11 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.162 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 38.1 mtmt -93.27 139.15 30.95 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.636 176.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 11.4 mm -115.57 99.33 8.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 171.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -104.54 136.6 43.8 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -94.4 125.95 39.36 Favored 'General case' 0 N--CA 1.388 -3.557 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 45.1 t -148.06 132.3 9.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 57.3 25.03 10.67 Favored 'General case' 0 N--CA 1.499 2.001 0 C-N-CA 123.814 0.846 . . . . 0.0 112.792 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.56 17.68 79.7 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.173 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 12.8 ptpt -129.76 166.25 20.26 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 117.889 0.844 . . . . 0.0 109.412 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt -93.94 116.79 29.27 Favored 'General case' 0 CA--C 1.48 -1.72 0 CA-C-O 121.941 0.877 . . . . 0.0 109.269 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.9 119.97 52.06 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.965 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.65 122.49 69.58 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.978 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.61 149.91 74.87 Favored Pre-proline 0 C--N 1.287 -2.121 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.13 170.02 12.46 Favored 'Trans proline' 0 N--CA 1.409 -3.472 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 33' ' ' VAL . 25.4 t . . . . . 0 C--N 1.27 -2.89 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 61.8 mt . . . . . 0 N--CA 1.434 -1.249 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -86.73 113.08 22.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.864 0.84 . . . . 0.0 108.759 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 57.6 m -118.98 -166.17 1.22 Allowed 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.642 -175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.5 p -156.98 170.87 21.54 Favored 'General case' 0 N--CA 1.417 -2.083 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 90.6 t -115.28 122.95 70.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -118.26 175.11 5.85 Favored 'General case' 0 C--N 1.274 -2.676 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.838 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -103.81 118.57 37.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.923 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -113.2 99.27 7.69 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.71 -129.4 12.01 Favored Glycine 0 N--CA 1.433 -1.532 0 N-CA-C 107.985 -2.046 . . . . 0.0 107.985 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -97.42 14.61 25.72 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.293 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -122.51 128.03 25.6 Favored Pre-proline 0 N--CA 1.404 -2.746 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.69 -171.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.63 124.44 14.61 Favored 'Trans proline' 0 N--CA 1.442 -1.551 0 C-N-CA 122.265 1.977 . . . . 0.0 109.417 171.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -121.67 140.09 52.72 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-O 120.982 0.42 . . . . 0.0 110.841 -176.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 85.7 t -106.47 129.5 59.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.94 113.12 17.86 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 123.754 0.659 . . . . 0.0 109.946 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.94 124.93 54.9 Favored Pre-proline 0 C--N 1.302 -1.48 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.4 129.01 26.59 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.769 1.646 . . . . 0.0 110.488 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.94 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.071 0.549 . . . . 0.0 111.277 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -56.67 -38.53 72.36 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.757 0.823 . . . . 0.0 110.66 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.74 -34.12 40.23 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.082 0.467 . . . . 0.0 110.853 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 83.4 mmm -55.22 -46.77 75.95 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.524 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.4 -38.46 87.54 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.161 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.77 -32.26 70.65 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.653 0.739 . . . . 0.0 112.163 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.444 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 76.0 mt -100.02 -2.5 34.3 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.493 0.663 . . . . 0.0 110.147 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 55.38 66.04 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 125.746 1.618 . . . . 0.0 113.734 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -130.44 164.15 25.4 Favored 'General case' 0 N--CA 1.4 -2.937 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.089 172.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -131.23 -176.21 3.94 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.71 139.43 20.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.278 0.561 . . . . 0.0 110.473 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.8 46.03 3.14 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 126.505 1.922 . . . . 0.0 110.657 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -104.14 130.62 51.88 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -81.33 130.7 35.14 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.504 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.4 m -130.97 153.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 40.1 mtmt -90.75 141.27 28.97 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.963 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 12.1 mm -116.77 98.7 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 171.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.12 135.83 44.87 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.33 125.94 38.19 Favored 'General case' 0 N--CA 1.384 -3.735 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.468 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 32.2 t -146.87 132.98 13.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -177.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 57.07 24.8 10.05 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.041 0.936 . . . . 0.0 112.571 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.65 16.96 78.42 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.792 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 13.5 ptpt -130.06 168.31 16.94 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 117.514 0.657 . . . . 0.0 109.447 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -95.15 115.02 26.88 Favored 'General case' 0 CA--C 1.483 -1.615 0 CA-C-O 121.806 0.812 . . . . 0.0 109.7 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.4 117.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 114.189 -1.369 . . . . 0.0 107.971 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.9 mt -117.23 122.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.728 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.79 151.6 79.11 Favored Pre-proline 0 C--N 1.279 -2.498 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.34 170.32 11.98 Favored 'Trans proline' 0 N--CA 1.406 -3.671 0 N-CA-C 108.87 -1.242 . . . . 0.0 108.87 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' B' ' 33' ' ' VAL . 37.1 t . . . . . 0 C--N 1.267 -2.999 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 78.5 mt . . . . . 0 N--CA 1.443 -0.783 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.9 123.94 48.78 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 m -137.6 -166.3 1.92 Allowed 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.431 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 59.8 p -148.82 151.36 34.63 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 118.205 0.457 . . . . 0.0 110.336 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.63 117.68 21.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 71.6 mmtt -108.93 170.05 8.29 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -100.67 122.56 43.54 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -112.53 95.95 5.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.79 -124.57 8.66 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -101.02 20.43 15.56 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -134.49 137.47 27.84 Favored Pre-proline 0 N--CA 1.417 -2.109 0 O-C-N 121.698 -0.626 . . . . 0.0 110.294 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 23.3 Cg_endo -68.87 129.75 19.13 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.864 2.376 . . . . 0.0 111.091 174.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.61 140.69 49.47 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.86 128.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -74.69 132.81 41.97 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.442 0.464 . . . . 0.0 110.914 178.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mm -98.7 129.92 28.97 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -61.16 131.28 35.91 Favored 'Trans proline' 0 C--O 1.251 1.165 0 C-N-CA 121.918 1.746 . . . . 0.0 111.474 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.72 66.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.111 0.564 . . . . 0.0 110.943 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -57.05 -42.98 81.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.235 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.04 -33.37 57.35 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.305 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.3 mmm -51.31 -53.0 40.17 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.629 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.91 -32.61 71.01 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.337 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.59 71.79 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.646 0.736 . . . . 0.0 110.829 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -92.82 -10.16 37.81 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.714 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 64.22 27.09 13.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.595 1.158 . . . . 0.0 111.362 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.93 178.05 5.89 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.592 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -144.03 -175.95 4.81 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -176.331 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.0 mm -77.77 136.18 24.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 79.92 14.3 0.92 Allowed 'General case' 0 CA--C 1.483 -1.618 0 C-N-CA 125.645 1.578 . . . . 0.0 111.199 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.592 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.8 t70 -76.42 115.83 16.53 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' SER . 27.2 tt0 -75.14 132.44 41.2 Favored 'General case' 0 N--CA 1.405 -2.677 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.0 m -124.97 158.56 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 C-N-CA 120.106 -0.638 . . . . 0.0 112.201 -174.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HG3' HG22 ' A' ' 47' ' ' VAL . 22.3 mtpp -94.45 109.79 21.63 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.198 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.18 98.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 170.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.41 122.59 40.64 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.77 128.51 45.86 Favored 'General case' 0 N--CA 1.389 -3.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.74 108.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.22 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 66.21 21.21 11.1 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.885 0.874 . . . . 0.0 111.496 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' HD21 ' B' ' 25' ' ' LEU . . . 95.57 -14.96 64.1 Favored Glycine 0 C--N 1.303 -1.298 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.311 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -86.08 140.13 30.52 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 7.0 mp -101.12 140.08 35.92 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.388 0.613 . . . . 0.0 110.531 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -118.28 137.4 52.36 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 44.2 mm -113.51 107.57 23.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-O 121.869 0.842 . . . . 0.0 110.023 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -131.91 136.37 28.19 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -85.47 169.99 9.36 Favored 'Trans proline' 0 N--CA 1.407 -3.607 0 CA-C-N 120.251 1.125 . . . . 0.0 109.827 -176.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 34' ' ' LYS . 44.1 t . . . . . 0 C--N 1.274 -2.679 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 80.2 mt . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.58 128.5 53.64 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.259 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 75.4 m -142.55 -166.65 2.32 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.496 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 20.4 p -147.74 151.64 36.42 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.52 115.95 23.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 71.8 mmtt -107.19 172.76 6.65 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -104.28 120.37 41.03 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.123 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -109.03 95.05 5.38 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -124.08 8.69 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -101.7 21.4 14.52 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 117.181 0.491 . . . . 0.0 111.599 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.5 m -139.31 138.39 20.56 Favored Pre-proline 0 N--CA 1.415 -2.195 0 O-C-N 121.48 -0.763 . . . . 0.0 110.751 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.69 132.79 29.75 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 123.179 2.586 . . . . 0.0 111.567 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.1 140.05 47.44 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -110.0 129.96 64.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -76.17 127.88 33.82 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.409 0.443 . . . . 0.0 111.443 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.42 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.3 mm -94.98 127.94 41.02 Favored Pre-proline 0 C--N 1.307 -1.282 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 175.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.75 128.03 22.16 Favored 'Trans proline' 0 C--O 1.251 1.15 0 C-N-CA 121.953 1.768 . . . . 0.0 111.408 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.68 -30.43 43.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.918 0.887 . . . . 0.0 111.794 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.8 m -58.39 -39.57 80.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.769 0.827 . . . . 0.0 110.652 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.24 -33.41 38.01 Favored 'General case' 0 CA--C 1.473 -1.983 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.0 mmm -50.62 -52.62 37.75 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.272 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -67.9 -33.81 75.42 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.531 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.63 66.97 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.325 0.583 . . . . 0.0 111.339 -173.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 40' ' ' GLY . 85.5 mt -93.69 -6.04 47.17 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.596 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 62.58 28.16 16.54 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.369 1.067 . . . . 0.0 111.804 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -97.23 177.62 5.51 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.045 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 0.1 OUTLIER -142.9 -173.55 3.93 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.407 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.3 mm -79.43 139.64 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 175.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 76.57 14.93 2.18 Favored 'General case' 0 CA--C 1.478 -1.811 0 C-N-CA 125.445 1.498 . . . . 0.0 111.283 -173.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 3.6 t70 -76.39 116.48 17.12 Favored 'General case' 0 CA--C 1.478 -1.799 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.95 131.91 39.9 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.83 154.8 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.383 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' B' ' 47' ' ' VAL . 22.4 mtpp -90.26 109.08 20.18 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.926 177.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.3 mp -91.26 100.28 10.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.91 122.55 41.17 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -101.06 126.83 47.77 Favored 'General case' 0 N--CA 1.384 -3.727 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.6 105.83 2.43 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.464 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.554 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 65.99 21.39 11.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.94 0.896 . . . . 0.0 111.806 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -8.49 71.37 Favored Glycine 0 C--N 1.299 -1.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.527 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -92.07 140.8 29.28 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 7.0 mp -101.16 145.34 28.92 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.318 0.58 . . . . 0.0 110.498 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.5 mm -124.14 136.33 60.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 41.3 mm -112.15 107.78 23.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 CA-C-O 121.894 0.854 . . . . 0.0 110.166 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -130.92 133.63 25.01 Favored Pre-proline 0 C--N 1.294 -1.84 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.7 169.32 9.34 Favored 'Trans proline' 0 N--CA 1.401 -3.931 0 C-N-CA 121.099 1.2 . . . . 0.0 109.676 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.441 HG22 ' HG3' ' B' ' 34' ' ' LYS . 43.2 t . . . . . 0 C--N 1.269 -2.909 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 38.6 mm . . . . . 0 N--CA 1.435 -1.199 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -88.13 83.68 6.97 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -174.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -109.1 -167.88 1.27 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.506 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -152.46 148.42 27.4 Favored 'General case' 0 N--CA 1.407 -2.612 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.78 125.39 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.23 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -120.38 164.68 15.99 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -95.21 116.18 28.41 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.197 0.522 . . . . 0.0 111.436 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -105.05 95.04 5.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.46 -120.7 7.75 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.02 30.74 6.09 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 46.6 t -136.08 124.1 15.06 Favored Pre-proline 0 N--CA 1.423 -1.824 0 O-C-N 121.372 -0.83 . . . . 0.0 110.218 -174.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.612 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 18.3 Cg_endo -66.72 122.02 9.34 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.063 1.842 . . . . 0.0 109.899 172.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -122.08 141.65 51.17 Favored 'General case' 0 N--CA 1.422 -1.841 0 CA-C-O 121.117 0.484 . . . . 0.0 111.406 -175.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.11 127.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -79.0 125.17 29.03 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.602 0.564 . . . . 0.0 111.315 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.515 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 48.9 mm -98.3 135.58 21.22 Favored Pre-proline 0 C--N 1.305 -1.364 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.1 133.93 22.28 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.383 1.389 . . . . 0.0 109.618 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.02 67.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.477 0.655 . . . . 0.0 110.96 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -58.77 -41.03 85.62 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 123.681 0.792 . . . . 0.0 109.586 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 4.0 mm? -78.34 -33.35 49.16 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.192 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 82.0 mtp -51.83 -49.13 63.43 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 123.943 0.777 . . . . 0.0 109.688 173.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.8 -35.18 79.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.869 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -34.31 72.22 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.889 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 63.5 mt -94.14 -5.77 46.43 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.134 -178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 66.49 18.59 10.84 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 126.097 1.759 . . . . 0.0 113.029 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.92 166.91 11.94 Favored 'General case' 0 N--CA 1.428 -1.536 0 O-C-N 122.312 -0.242 . . . . 0.0 110.957 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -131.79 -178.38 4.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.935 0.397 . . . . 0.0 111.012 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -76.85 140.46 17.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 172.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t70 71.21 23.34 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.775 1.23 . . . . 0.0 108.964 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -99.36 140.11 34.02 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.36 134.41 35.57 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.191 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.37 150.92 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 33.7 mtmt -96.19 129.13 43.57 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CG2' HD22 ' A' ' 42' ' ' LEU . 2.9 mp -99.71 98.24 6.8 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.628 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 165.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.85 130.9 44.73 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -89.62 130.57 35.9 Favored 'General case' 0 N--CA 1.403 -2.803 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.7 t -147.93 130.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.69 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 59.26 21.67 9.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 124.231 1.012 . . . . 0.0 113.353 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.03 21.33 79.94 Favored Glycine 0 C--N 1.301 -1.41 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.59 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 14.1 pttt -127.27 156.63 41.61 Favored 'General case' 0 C--O 1.249 1.042 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 176.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.429 HD22 ' CG2' ' A' ' 35' ' ' ILE . 45.0 mt -93.14 133.0 36.77 Favored 'General case' 0 CA--C 1.476 -1.874 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.937 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.457 HD12 HD12 ' B' ' 43' ' ' ILE . 32.6 mm -112.41 136.06 49.84 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.275 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.637 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 49.1 mm -107.49 107.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 36.8 tt0 -130.26 124.98 21.6 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.1 Cg_endo -82.62 170.71 12.68 Favored 'Trans proline' 0 N--CA 1.421 -2.786 0 C-N-CA 122.055 1.837 . . . . 0.0 111.373 -173.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.279 -2.482 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.289 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 34.8 mm . . . . . 0 N--CA 1.436 -1.149 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -89.79 83.46 6.21 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -174.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.4 m -106.89 -167.63 1.3 Allowed 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.602 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 147.35 24.58 Favored 'General case' 0 N--CA 1.406 -2.671 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.29 120.51 33.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -116.06 161.35 19.02 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.2 ttm180 -93.48 115.85 28.38 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -103.64 95.01 5.76 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.02 -120.08 7.08 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -105.56 20.59 18.64 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.727 0.775 . . . . 0.0 110.13 173.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -125.75 125.91 24.92 Favored Pre-proline 0 N--CA 1.419 -2.0 0 O-C-N 120.836 -1.165 . . . . 0.0 109.729 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.602 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 17.9 Cg_endo -68.05 124.85 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.148 1.899 . . . . 0.0 109.507 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -124.63 139.96 53.39 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.126 0.488 . . . . 0.0 111.765 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.23 128.67 63.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.2 121.49 26.68 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 123.734 0.646 . . . . 0.0 111.777 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.541 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.0 mm -94.82 134.69 24.6 Favored Pre-proline 0 C--N 1.303 -1.423 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.12 136.4 29.34 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 121.357 1.371 . . . . 0.0 110.037 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.196 0.522 . . . . 0.0 110.56 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -57.7 -43.97 85.52 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.945 0.878 . . . . 0.0 109.31 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 4.0 mm? -76.94 -32.75 57.56 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.612 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 83.1 mtp -52.62 -49.11 65.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 123.83 0.706 . . . . 0.0 109.702 173.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -67.68 -33.04 74.12 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.668 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.85 66.25 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.428 0.633 . . . . 0.0 110.731 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 21' ' ' LEU . 73.1 mt -95.35 -2.24 49.56 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.74 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 64.02 21.71 12.69 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.767 1.227 . . . . 0.0 112.819 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 pp -98.42 173.17 7.09 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 122.084 -0.385 . . . . 0.0 110.356 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -139.91 179.72 6.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.807 0.336 . . . . 0.0 110.965 -174.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -74.57 138.8 20.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 74.04 18.53 3.19 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.043 1.337 . . . . 0.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -93.9 141.93 27.96 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.95 131.67 35.35 Favored 'General case' 0 C--N 1.281 -2.404 0 C-N-CA 123.903 0.881 . . . . 0.0 109.438 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.17 150.18 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.073 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.5 ' HE3' ' HB2' ' B' ' 34' ' ' LYS . 36.3 mtmt -96.08 131.4 42.54 Favored 'General case' 0 N--CA 1.428 -1.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.823 175.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.439 HG22 HD22 ' B' ' 42' ' ' LEU . 3.1 mp -99.42 98.74 7.41 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.531 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 165.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -97.92 136.3 38.41 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -94.24 130.48 40.48 Favored 'General case' 0 N--CA 1.4 -2.948 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.634 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 51.4 t -147.8 127.67 4.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.417 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 61.68 22.12 12.7 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.215 1.006 . . . . 0.0 111.58 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.83 18.65 79.64 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.831 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 21.3 pttt -124.43 157.8 34.3 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.439 HD22 HG22 ' B' ' 35' ' ' ILE . 87.7 mt -91.76 131.96 36.75 Favored 'General case' 0 CA--C 1.477 -1.836 0 CA-C-O 121.692 0.758 . . . . 0.0 110.366 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.457 HD12 HD12 ' A' ' 43' ' ' ILE . 32.8 mm -112.78 136.57 48.65 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.239 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.089 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 49.0 mm -108.16 105.48 18.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 CA-C-O 121.762 0.792 . . . . 0.0 109.528 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 34.9 tt0 -128.28 124.91 23.16 Favored Pre-proline 0 N--CA 1.416 -2.134 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.6 Cg_endo -83.14 170.79 11.93 Favored 'Trans proline' 0 N--CA 1.415 -3.14 0 C-N-CA 121.866 1.711 . . . . 0.0 111.136 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.276 -2.627 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -178.59 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.2 mt . . . . . 0 N--CA 1.443 -0.806 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -114.62 108.32 16.67 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.879 0.847 . . . . 0.0 111.26 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 38.5 m -120.1 -161.3 0.87 Allowed 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.918 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -148.39 149.19 31.32 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 118.395 0.543 . . . . 0.0 111.119 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.34 118.96 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.114 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -108.65 171.11 7.61 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -106.96 117.61 34.5 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.583 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -103.86 98.7 8.51 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.98 -120.52 8.7 Favored Glycine 0 N--CA 1.433 -1.523 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -107.6 26.17 10.6 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 117.153 0.476 . . . . 0.0 110.5 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 t -129.13 122.2 21.05 Favored Pre-proline 0 N--CA 1.402 -2.858 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HB2' ' HB ' ' B' ' 17' ' ' ILE . 8.4 Cg_exo -61.31 125.68 17.49 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 121.812 1.674 . . . . 0.0 108.726 170.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.555 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -128.13 136.93 51.83 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.027 0.441 . . . . 0.0 110.46 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.4 t -106.77 129.96 59.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -79.82 120.01 23.49 Favored 'General case' 0 N--CA 1.437 -1.086 0 O-C-N 123.717 0.636 . . . . 0.0 111.646 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' B' ' 13' ' ' PRO . 36.9 mm -97.98 128.01 35.19 Favored Pre-proline 0 C--N 1.301 -1.542 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.98 134.52 50.19 Favored 'Trans proline' 0 C--O 1.249 1.051 0 C-N-CA 121.416 1.411 . . . . 0.0 110.203 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.93 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.358 0.599 . . . . 0.0 110.222 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 m -59.69 -43.42 94.04 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.855 0.862 . . . . 0.0 110.099 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.3 -34.89 63.64 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 120.934 0.397 . . . . 0.0 111.314 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 86.0 mmm -52.39 -53.61 42.68 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.322 173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.71 -36.22 80.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.515 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.7 -28.23 61.63 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.037 -175.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 mt -104.05 5.02 35.0 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.148 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 68.65 23.16 7.24 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.348 1.059 . . . . 0.0 113.655 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.67 154.18 20.8 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-O 121.408 0.623 . . . . 0.0 110.455 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -123.85 -173.65 2.8 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.3 mm -75.68 139.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.249 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 81.55 18.21 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.792 2.037 . . . . 0.0 111.212 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.52 131.95 34.28 Favored 'General case' 0 C--O 1.252 1.216 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' SER . 37.1 tt0 -69.74 136.53 51.06 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 124.135 0.897 . . . . 0.0 110.729 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 2.8 m -133.06 150.01 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 121.474 0.654 . . . . 0.0 110.785 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -95.47 125.15 39.88 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.614 175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -102.54 104.64 16.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 172.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 40.3 m-20 -112.99 133.09 55.11 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.16 127.55 35.74 Favored 'General case' 0 N--CA 1.385 -3.703 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -143.4 118.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.074 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.38 22.35 10.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.61 10.94 56.28 Favored Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.255 -0.974 . . . . 0.0 113.21 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.65 160.41 31.7 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -96.76 113.93 25.53 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.391 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.5 mp -95.4 116.09 36.07 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.087 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.62 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.19 105.02 17.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.812 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.218 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 44.4 tt0 -119.67 118.36 32.09 Favored Pre-proline 0 C--N 1.307 -1.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.78 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 5.6 Cg_endo -56.29 148.64 59.82 Favored 'Trans proline' 0 N--CA 1.436 -1.875 0 C-N-CA 124.139 3.226 . . . . 0.0 110.652 173.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 C--N 1.246 -3.934 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.286 -176.604 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--O 1.219 -0.533 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 10.0 p80 -116.47 107.09 14.33 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.101 0.953 . . . . 0.0 111.81 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 53.0 m -115.92 -159.48 0.72 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.243 -1.344 . . . . 0.0 108.824 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.442 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 10.5 p -148.86 148.81 30.32 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -78.01 118.85 25.74 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.223 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.9 mmtt -107.37 172.88 6.58 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -107.77 118.79 37.67 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.437 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -105.86 96.93 6.83 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.56 -122.55 9.49 Favored Glycine 0 N--CA 1.434 -1.463 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -100.71 15.75 27.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 117.343 0.572 . . . . 0.0 111.104 174.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -124.14 126.25 25.61 Favored Pre-proline 0 N--CA 1.404 -2.736 0 O-C-N 121.705 -0.622 . . . . 0.0 109.786 -172.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HB2' ' HB ' ' A' ' 17' ' ' ILE . 9.8 Cg_exo -62.1 129.73 28.2 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.046 1.83 . . . . 0.0 108.786 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.555 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -130.71 138.08 49.83 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -177.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.17 130.84 57.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -78.84 123.24 27.03 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.727 0.642 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 13' ' ' PRO . 42.1 mm -102.44 128.22 28.72 Favored Pre-proline 0 C--N 1.301 -1.531 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -62.73 134.27 46.32 Favored 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 121.275 1.316 . . . . 0.0 110.257 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.71 68.13 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.958 0.503 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.2 m -60.91 -40.48 93.33 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.402 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.95 -35.17 59.78 Favored 'General case' 0 CA--C 1.48 -1.748 0 CA-C-O 120.847 0.356 . . . . 0.0 110.943 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -52.17 -53.05 47.84 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.387 173.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.1 -33.67 76.29 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.396 177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.6 66.21 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.386 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 mt -102.78 9.21 39.17 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.558 -176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 65.78 19.35 11.35 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.424 ' C ' HD22 ' B' ' 28' ' ' ASN . 0.9 OUTLIER -102.38 154.02 19.47 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.493 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.424 HD22 ' C ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER -123.14 -178.66 4.03 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.319 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -68.38 142.19 16.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.51 23.93 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 126.111 1.764 . . . . 0.0 110.743 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -92.05 131.58 37.22 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 4' ' ' SER . 38.6 tt0 -70.68 134.91 47.94 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 124.234 0.958 . . . . 0.0 110.16 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.56 147.99 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.904 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -92.8 129.52 38.69 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.7 mp -106.46 104.08 16.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.508 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 39.3 m-20 -113.43 128.71 56.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.95 126.28 33.99 Favored 'General case' 0 N--CA 1.392 -3.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -142.4 119.97 7.39 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.71 32.0 18.52 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 12.99 64.9 Favored Glycine 0 C--N 1.307 -1.038 0 C-N-CA 120.84 -0.695 . . . . 0.0 114.171 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.8 159.81 37.43 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.72 113.43 25.07 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.301 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.5 mp -94.74 116.17 35.4 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.177 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.855 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.97 105.53 18.87 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.175 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.461 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 48.8 tt0 -121.92 119.05 29.06 Favored Pre-proline 0 C--N 1.305 -1.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.582 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.1 Cg_endo -55.83 150.72 44.12 Favored 'Trans proline' 0 N--CA 1.436 -1.865 0 C-N-CA 124.118 3.212 . . . . 0.0 110.669 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.252 -3.665 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -177.132 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.3 mt . . . . . 0 N--CA 1.434 -1.268 0 CA-C-O 120.914 0.388 . . . . 0.0 110.043 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -77.2 124.4 27.78 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 122.097 0.951 . . . . 0.0 111.319 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m -144.48 -168.05 2.8 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.246 175.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -150.96 154.53 37.28 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.69 107.87 10.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -105.85 166.21 10.64 Favored 'General case' 0 N--CA 1.412 -2.332 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -98.68 110.82 23.36 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 120.889 0.376 . . . . 0.0 111.336 -177.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -97.43 93.74 6.64 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.94 -118.28 4.93 Favored Glycine 0 N--CA 1.428 -1.879 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -111.11 26.97 10.13 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 116.944 0.372 . . . . 0.0 110.692 174.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -141.46 130.9 12.64 Favored Pre-proline 0 N--CA 1.43 -1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 110.194 -176.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.719 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 17.5 Cg_endo -62.2 131.26 33.65 Favored 'Trans proline' 0 C--O 1.24 0.587 0 C-N-CA 123.074 2.516 . . . . 0.0 112.122 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.36 41.46 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.909 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.98 137.52 43.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -78.67 130.08 35.44 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.834 0.708 . . . . 0.0 111.779 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.613 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -106.85 128.63 25.75 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 174.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.5 142.96 73.88 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.716 1.611 . . . . 0.0 110.815 176.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -63.25 -28.03 69.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.097 0.475 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 m -59.38 -38.5 80.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.399 0.619 . . . . 0.0 110.438 175.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.96 -32.78 59.68 Favored 'General case' 0 CA--C 1.477 -1.854 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.021 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.711 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 84.7 mtp -54.98 -46.84 75.14 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.781 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 47.3 mt-30 -71.43 -25.74 62.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.342 -178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.67 -26.31 59.77 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.37 0.605 . . . . 0.0 110.473 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -110.45 4.45 20.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 58.29 23.7 10.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.702 1.201 . . . . 0.0 112.763 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -99.4 155.82 17.34 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-O 120.884 0.373 . . . . 0.0 110.432 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -124.4 -172.92 2.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.089 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.6 mm -76.43 142.73 13.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 77.9 13.03 1.76 Allowed 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.57 1.148 . . . . 0.0 112.58 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -83.76 125.65 32.12 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 143.7 43.47 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 123.657 0.598 . . . . 0.0 110.286 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.467 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.9 m -136.18 152.9 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.294 0 CA-C-O 121.41 0.624 . . . . 0.0 111.356 -175.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -103.26 119.34 38.68 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 113.91 -1.495 . . . . 0.0 109.97 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.45 97.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.84 128.78 45.14 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.5 124.67 35.18 Favored 'General case' 0 N--CA 1.385 -3.712 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 54.6 t -142.19 119.62 7.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.852 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.292 -174.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 65.51 22.69 11.83 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.402 1.096 . . . . 0.0 110.022 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.34 31.2 63.77 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.053 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG3' ' OE2' ' B' ' 45' ' ' GLU . 22.5 ttmm -128.88 145.01 51.33 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -89.04 115.44 26.59 Favored 'General case' 0 CA--C 1.485 -1.539 0 CA-C-O 121.745 0.783 . . . . 0.0 110.532 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.47 109.24 25.94 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.549 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.209 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.488 HD13 HD13 ' B' ' 44' ' ' ILE . 1.9 mp -101.89 106.86 20.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.788 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.727 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.432 ' OE2' ' HG3' ' B' ' 41' ' ' LYS . 26.1 mm-40 -111.98 141.96 25.86 Favored Pre-proline 0 C--N 1.287 -2.134 0 CA-C-N 113.857 -1.519 . . . . 0.0 107.813 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -85.35 169.13 9.89 Favored 'Trans proline' 0 N--CA 1.407 -3.563 0 N-CA-C 107.208 -1.882 . . . . 0.0 107.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 33' ' ' VAL . 18.0 t . . . . . 0 C--N 1.253 -3.621 0 C-N-CA 117.445 -1.702 . . . . 0.0 109.091 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 73.5 mt . . . . . 0 N--CA 1.444 -0.732 0 CA-C-O 120.799 0.333 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -78.19 120.61 23.23 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.173 0.987 . . . . 0.0 112.019 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.6 m -140.13 -165.57 1.93 Allowed 'General case' 0 C--N 1.268 -2.978 0 CA-C-N 114.277 -1.329 . . . . 0.0 107.598 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -152.12 154.46 35.93 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.62 109.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -106.12 167.43 9.81 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' B' ' 10' ' ' GLY . 45.4 ttm180 -102.45 106.81 17.61 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 -176.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -91.77 94.24 9.25 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' B' ' 8' ' ' ARG . . . 75.64 -120.07 5.94 Favored Glycine 0 N--CA 1.425 -2.042 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 -175.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -109.23 24.55 12.94 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.063 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -136.03 129.57 18.12 Favored Pre-proline 0 N--CA 1.427 -1.614 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.711 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 12.1 Cg_endo -62.85 131.25 32.26 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 122.848 2.366 . . . . 0.0 111.691 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.47 144.99 40.31 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.134 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.14 135.77 50.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -76.93 132.31 38.99 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 123.721 0.638 . . . . 0.0 111.595 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.3 mp -106.66 130.24 23.21 Favored Pre-proline 0 C--N 1.297 -1.698 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.32 139.06 53.28 Favored 'Trans proline' 0 C--O 1.249 1.066 0 C-N-CA 121.912 1.741 . . . . 0.0 110.866 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.04 66.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.256 0.551 . . . . 0.0 111.177 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -61.9 -38.4 88.25 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.98 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.65 -32.25 60.12 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.355 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.719 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.9 mtp -54.67 -47.99 72.91 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.093 173.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -70.58 -25.05 62.89 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.44 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.97 64.39 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.35 2.87 26.93 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.486 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 58.54 25.35 13.0 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.849 1.26 . . . . 0.0 113.219 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 pp -101.84 156.51 17.47 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -126.62 -169.91 2.11 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.29 144.77 11.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 75.18 14.31 3.08 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 124.737 1.215 . . . . 0.0 111.86 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -87.13 128.83 35.11 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.8 143.8 39.56 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 123.578 0.549 . . . . 0.0 110.916 -176.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.46 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.6 m -137.39 151.36 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.797 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -101.72 119.37 38.68 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.971 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.32 95.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 173.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.35 125.42 41.95 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.386 -3.639 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -140.27 121.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.213 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.043 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 64.27 21.67 12.59 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.11 0.957 . . . . 0.0 110.901 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.85 23.94 70.91 Favored Glycine 0 C--O 1.213 -1.209 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' OE2' ' A' ' 45' ' ' GLU . 22.3 ttmm -124.11 144.58 49.81 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 73.5 mt -86.66 114.18 23.14 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 121.577 0.703 . . . . 0.0 110.791 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -102.35 109.71 27.13 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.604 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.468 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 44' ' ' ILE . 1.7 mp -102.66 106.05 19.27 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.774 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.242 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.467 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 27.3 mm-40 -111.25 142.95 27.43 Favored Pre-proline 0 C--N 1.289 -2.062 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.52 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.1 169.99 9.85 Favored 'Trans proline' 0 N--CA 1.408 -3.543 0 N-CA-C 107.252 -1.865 . . . . 0.0 107.252 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' B' ' 33' ' ' VAL . 21.3 t . . . . . 0 C--N 1.256 -3.495 0 C-N-CA 117.308 -1.757 . . . . 0.0 109.11 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 56.6 mt . . . . . 0 N--CA 1.431 -1.408 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -95.62 95.89 8.66 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.913 0.863 . . . . 0.0 111.487 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -111.34 -164.19 0.9 Allowed 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.451 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.524 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 24.6 p -151.96 156.57 40.31 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.0 t -83.58 116.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -109.62 173.96 6.09 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -106.04 116.29 31.69 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -103.24 97.27 7.37 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.48 -117.27 4.93 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 -176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -114.9 29.41 8.05 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.967 -0.137 . . . . 0.0 111.133 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -137.49 134.47 18.54 Favored Pre-proline 0 N--CA 1.421 -1.905 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 Cg_endo -67.32 129.98 21.53 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.637 2.225 . . . . 0.0 111.228 175.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 140.02 39.33 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -106.15 136.41 40.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -79.57 121.82 25.73 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 123.711 0.632 . . . . 0.0 110.141 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.6 mp -99.85 129.41 28.67 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HG3' HD13 ' A' ' 2' ' ' ILE . 19.3 Cg_endo -66.76 136.65 42.78 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.216 1.944 . . . . 0.0 111.886 178.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.0 -29.97 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.605 0.762 . . . . 0.0 111.228 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -57.54 -35.93 70.95 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 124.154 0.982 . . . . 0.0 111.082 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.49 -32.55 22.17 Favored 'General case' 0 CA--C 1.478 -1.803 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.425 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mmm -53.68 -51.94 61.6 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.306 174.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 81.5 mt-30 -67.0 -34.46 77.8 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.991 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.08 79.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.381 0.61 . . . . 0.0 111.777 -174.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.45 4.85 24.74 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.936 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 50.78 63.02 2.4 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 126.256 1.823 . . . . 0.0 113.164 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 156.03 32.26 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -126.62 -178.77 4.49 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -71.7 142.75 15.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 79.89 10.97 1.25 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.333 1.853 . . . . 0.0 110.837 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.48 128.91 35.55 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.07 146.08 51.2 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 124.048 0.843 . . . . 0.0 111.583 -175.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.5 m -136.46 151.35 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.36 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -95.08 112.44 24.15 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.044 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.13 100.18 10.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.23 136.9 42.98 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.78 140.48 32.1 Favored 'General case' 1 N--CA 1.373 -4.313 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -148.78 116.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 53.18 38.39 27.42 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.134 0.974 . . . . 0.0 112.597 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.5 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.036 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -124.5 148.93 47.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -92.38 105.25 17.48 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.093 0.949 . . . . 0.0 108.556 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.407 HD12 HD12 ' B' ' 43' ' ' ILE . 22.0 mm -100.29 105.86 18.32 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.18 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.269 -176.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.77 108.69 21.78 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 42.8 tt0 -116.42 114.36 40.48 Favored Pre-proline 0 C--N 1.295 -1.8 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.172 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 12.2 Cg_endo -62.11 146.05 96.23 Favored 'Trans proline' 0 N--CA 1.423 -2.623 0 C-N-CA 123.436 2.757 . . . . 0.0 110.326 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.6 t . . . . . 0 C--N 1.259 -3.358 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 35.8 mt . . . . . 0 N--CA 1.435 -1.223 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -94.32 97.39 10.19 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.72 0.771 . . . . 0.0 111.278 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -112.3 -162.54 0.8 Allowed 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.533 -1.212 . . . . 0.0 107.84 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.582 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 11.9 p -153.57 155.64 36.51 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.41 119.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.582 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.4 mmtt -113.46 170.73 8.02 Favored 'General case' 0 C--N 1.278 -2.539 0 C-N-CA 120.031 -0.668 . . . . 0.0 109.326 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -102.47 116.89 33.54 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.059 0.457 . . . . 0.0 111.406 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -106.67 98.58 8.23 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.1 -121.95 7.29 Favored Glycine 0 N--CA 1.428 -1.867 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -111.23 30.63 6.74 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 117.292 0.546 . . . . 0.0 111.413 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -133.87 132.73 21.64 Favored Pre-proline 0 N--CA 1.412 -2.372 0 O-C-N 121.854 -0.529 . . . . 0.0 109.88 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.479 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.5 Cg_endo -66.78 129.25 20.54 Favored 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.447 2.098 . . . . 0.0 110.876 173.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.15 140.2 41.69 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -106.51 136.79 39.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -80.8 120.87 25.23 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.502 0.502 . . . . 0.0 110.431 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.5 mp -98.74 128.91 31.21 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -65.87 137.13 47.98 Favored 'Trans proline' 0 C--O 1.25 1.094 0 C-N-CA 121.985 1.79 . . . . 0.0 111.655 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.83 -29.68 68.42 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.446 0.698 . . . . 0.0 110.907 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.4 m -58.65 -34.19 70.92 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.122 0.969 . . . . 0.0 110.909 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.61 -32.02 20.84 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 121.157 0.503 . . . . 0.0 110.397 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -54.03 -51.06 65.19 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.272 173.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 80.3 mt-30 -67.64 -32.83 73.79 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.044 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.28 80.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.44 0.638 . . . . 0.0 111.97 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.86 4.8 23.89 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.241 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 50.52 60.97 3.47 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 125.647 1.579 . . . . 0.0 113.049 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.19 154.59 33.11 Favored 'General case' 0 N--CA 1.396 -3.138 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -129.2 -175.6 3.61 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.01 138.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 77.5 19.18 1.25 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.971 1.708 . . . . 0.0 110.854 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -90.11 128.56 36.35 Favored 'General case' 0 C--O 1.25 1.104 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.89 146.77 45.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 123.616 0.572 . . . . 0.0 110.778 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.24 150.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.45 113.35 25.6 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.1 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.6 mp -93.74 102.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 171.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.32 138.12 44.11 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.94 139.59 33.55 Favored 'General case' 0 N--CA 1.38 -3.968 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -146.34 112.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.273 -2.761 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 53.9 40.95 32.13 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.045 0.938 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.65 36.76 83.7 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.321 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -128.47 148.62 50.74 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -91.53 103.97 16.52 Favored 'General case' 0 CA--C 1.488 -1.431 0 CA-C-O 121.924 0.868 . . . . 0.0 109.24 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.407 HD12 HD12 ' A' ' 43' ' ' ILE . 20.5 mm -99.91 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.823 0 CA-C-N 114.338 -1.301 . . . . 0.0 108.447 -177.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.77 108.2 20.74 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.6 tt0 -116.19 113.43 41.39 Favored Pre-proline 0 C--N 1.297 -1.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.719 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 12.1 Cg_endo -61.73 149.37 90.26 Favored 'Trans proline' 0 N--CA 1.428 -2.363 0 C-N-CA 123.459 2.772 . . . . 0.0 110.071 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.261 -3.247 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.622 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.7 mt . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -84.48 120.9 26.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.512 ' OG ' HG22 ' B' ' 33' ' ' VAL . 84.5 p -109.96 -153.93 0.53 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.377 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -157.48 133.86 9.72 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.5 t -88.29 119.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.16 167.58 10.7 Favored 'General case' 0 C--N 1.275 -2.645 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -102.24 121.6 42.56 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.372 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -113.52 101.98 9.86 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.49 -120.64 6.56 Favored Glycine 0 N--CA 1.414 -2.804 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -103.06 17.33 24.31 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.641 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 p -137.31 137.11 21.6 Favored Pre-proline 0 N--CA 1.411 -2.423 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.79 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.02 121.3 9.59 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 122.81 2.34 . . . . 0.0 109.882 170.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.7 134.17 48.39 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-O 121.29 0.567 . . . . 0.0 109.612 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.37 139.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -84.0 104.43 14.07 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -88.05 133.04 38.03 Favored Pre-proline 0 C--N 1.308 -1.232 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 126.72 19.99 Favored 'Trans proline' 0 C--O 1.251 1.135 0 C-N-CA 121.941 1.761 . . . . 0.0 110.731 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -60.74 -25.19 66.29 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.272 0.629 . . . . 0.0 110.405 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -55.87 -36.33 67.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.458 1.103 . . . . 0.0 110.789 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.96 -34.49 29.74 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mmm -55.57 -48.29 75.02 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.054 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 96.8 mt-30 -63.56 -37.2 86.41 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.06 175.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.23 -35.11 75.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.489 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 mt -99.04 1.25 45.15 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.403 0.621 . . . . 0.0 111.311 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 67.01 27.36 8.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 173.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.09 160.51 14.26 Favored 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.03 179.45 5.03 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.085 -0.385 . . . . 0.0 110.194 -178.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.1 mm -72.78 142.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 79.77 14.59 0.93 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 125.299 1.44 . . . . 0.0 112.101 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' B' ' 5' ' ' SER . 12.5 t0 -91.97 173.21 7.96 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 175.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 4' ' ' SER . 30.3 tt0 -118.78 135.41 54.53 Favored 'General case' 0 C--N 1.271 -2.834 0 C-N-CA 124.017 0.927 . . . . 0.0 109.6 -173.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.544 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.5 m -129.22 157.86 41.95 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 C-N-CA 119.548 -0.861 . . . . 0.0 111.273 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HG3' HG22 ' A' ' 47' ' ' VAL . 9.5 mtmp? -99.64 123.0 43.48 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.506 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.35 112.32 31.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -124.83 126.36 45.47 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -87.99 131.93 34.44 Favored 'General case' 0 N--CA 1.383 -3.808 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.02 108.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.052 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 63.42 26.82 15.05 Favored 'General case' 0 N--CA 1.507 2.388 0 CA-C-O 122.768 1.27 . . . . 0.0 110.876 174.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.48 7.28 82.51 Favored Glycine 0 C--N 1.303 -1.303 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.41 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HD2' ' HG2' ' B' ' 45' ' ' GLU . 11.1 tppt? -102.59 141.72 34.94 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.4 mt -91.5 104.61 17.09 Favored 'General case' 0 CA--C 1.48 -1.713 0 CA-C-O 122.047 0.927 . . . . 0.0 109.168 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -97.9 107.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.856 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.29 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.58 124.95 54.46 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.104 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.819 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' B' ' 41' ' ' LYS . 51.7 mt-10 -130.05 148.49 69.88 Favored Pre-proline 0 C--N 1.293 -1.854 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.72 165.98 6.14 Favored 'Trans proline' 1 N--CA 1.4 -4.022 0 N-CA-C 109.167 -1.128 . . . . 0.0 109.167 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 33' ' ' VAL . 11.2 t . . . . . 0 C--N 1.254 -3.578 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 64.9 mt . . . . . 0 N--CA 1.444 -0.734 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -85.47 121.71 28.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.401 0.619 . . . . 0.0 110.775 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.544 ' OG ' HG22 ' A' ' 33' ' ' VAL . 62.3 p -111.19 -154.8 0.55 Allowed 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.304 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 50.9 m -156.01 134.59 11.69 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 173.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.54 116.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.57 166.62 11.34 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -102.51 124.51 48.19 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.999 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 16.3 t90 -114.79 101.1 8.74 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.79 -121.09 8.43 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 108.633 -1.787 . . . . 0.0 108.633 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -102.39 20.7 16.45 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 56.6 p -140.03 136.22 17.0 Favored Pre-proline 0 N--CA 1.414 -2.226 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.694 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -59.37 123.23 12.95 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.832 2.355 . . . . 0.0 109.783 171.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.81 133.09 46.74 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.686 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.88 138.67 27.44 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.105 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -84.08 106.08 15.44 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -87.8 134.36 35.68 Favored Pre-proline 0 C--N 1.304 -1.395 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.41 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.52 124.03 13.89 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.143 1.895 . . . . 0.0 111.033 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.46 -25.69 64.6 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.654 0.782 . . . . 0.0 110.827 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -56.06 -36.09 67.67 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.47 0.708 . . . . 0.0 110.943 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.21 -34.77 32.02 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.132 0.492 . . . . 0.0 110.972 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.4 mmm -55.13 -48.91 73.0 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.206 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 96.7 mt-30 -61.93 -39.63 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.163 -1.381 . . . . 0.0 110.55 175.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.07 83.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.829 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.3 mt -94.54 -3.41 49.85 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.411 0.624 . . . . 0.0 111.552 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 63.46 54.72 1.9 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 125.03 1.332 . . . . 0.0 113.881 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 158.02 34.73 Favored 'General case' 0 N--CA 1.403 -2.817 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -125.28 -179.25 4.51 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.19 143.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 78.74 15.87 1.12 Allowed 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.398 1.479 . . . . 0.0 111.944 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -94.75 167.07 11.67 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 4' ' ' SER . 38.0 tt0 -110.04 137.17 48.18 Favored 'General case' 0 C--N 1.268 -2.976 0 C-N-CA 123.461 0.704 . . . . 0.0 110.129 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.512 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.7 m -130.51 155.63 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.014 -0.675 . . . . 0.0 110.584 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.405 ' HZ2' ' HB2' ' B' ' 34' ' ' LYS . 9.7 mtmp? -97.1 130.64 44.35 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -104.71 111.31 33.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.98 132.5 56.63 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.005 0.431 . . . . 0.0 110.72 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.82 125.88 39.78 Favored 'General case' 1 N--CA 1.378 -4.04 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 49.9 t -142.05 107.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.179 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 64.68 31.06 12.27 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 122.642 1.211 . . . . 0.0 110.372 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.46 11.1 85.23 Favored Glycine 0 C--N 1.31 -0.9 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.476 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' A' ' 45' ' ' GLU . 11.1 tppt? -106.12 142.18 36.24 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -91.5 105.18 17.56 Favored 'General case' 0 CA--C 1.483 -1.633 0 CA-C-O 121.844 0.83 . . . . 0.0 109.58 175.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 36.7 mm -98.8 106.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.353 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.8 124.19 54.26 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.169 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.867 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' HD2' ' A' ' 41' ' ' LYS . 52.0 mt-10 -128.98 148.05 67.34 Favored Pre-proline 0 C--N 1.294 -1.844 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -87.05 168.59 7.78 Favored 'Trans proline' 1 N--CA 1.4 -4.005 0 N-CA-C 108.8 -1.269 . . . . 0.0 108.8 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.7 t . . . . . 0 C--N 1.257 -3.446 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt . . . . . 0 N--CA 1.43 -1.431 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -86.09 134.65 33.81 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.874 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.4 m -149.54 -164.99 2.16 Favored 'General case' 0 C--N 1.286 -2.188 0 C-N-CA 124.385 1.074 . . . . 0.0 108.236 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.46 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 15.8 p -150.19 160.65 43.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 118.236 0.471 . . . . 0.0 110.201 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.9 t -89.49 123.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 74.9 mmtt -110.99 175.84 5.26 Favored 'General case' 0 C--N 1.271 -2.824 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -107.22 119.64 39.94 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.998 -0.439 . . . . 0.0 109.905 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -114.18 97.96 6.66 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -129.39 17.17 Favored Glycine 0 N--CA 1.425 -2.064 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -96.92 18.16 15.25 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.068 0.461 . . . . 0.0 109.988 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 p -129.08 130.42 23.41 Favored Pre-proline 0 N--CA 1.416 -2.154 0 O-C-N 120.841 -1.162 . . . . 0.0 111.414 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.84 124.69 14.99 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.616 2.211 . . . . 0.0 109.707 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.97 138.06 41.91 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.205 0.526 . . . . 0.0 110.537 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.61 139.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -83.84 104.94 14.35 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 123.44 0.462 . . . . 0.0 109.893 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 mp -87.0 130.55 47.84 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.59 132.56 46.47 Favored 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.341 2.027 . . . . 0.0 111.545 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.488 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 m -56.22 -40.85 74.72 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.294 0.637 . . . . 0.0 110.13 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.16 -36.03 61.56 Favored 'General case' 0 CA--C 1.483 -1.632 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mmm -53.46 -46.55 69.96 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.776 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -71.77 -28.92 63.96 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.608 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -28.34 57.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.055 0.455 . . . . 0.0 111.579 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.7 mt -100.46 -10.37 21.18 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.643 0.735 . . . . 0.0 109.969 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.5 67.49 0.77 Allowed 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.761 1.624 . . . . 0.0 113.294 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.4 pt? -134.42 164.16 28.05 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 114.193 -1.367 . . . . 0.0 107.727 172.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.406 HD22 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -130.11 -177.13 4.17 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.388 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.1 mm -66.34 140.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-O 121.291 0.567 . . . . 0.0 110.581 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t0 73.67 20.02 3.12 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 126.821 2.048 . . . . 0.0 111.299 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -90.14 146.87 23.96 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.68 136.2 33.46 Favored 'General case' 0 C--N 1.267 -3.006 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.355 -172.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.478 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.0 m -130.28 157.96 42.74 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.105 -178.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG3' HG22 ' A' ' 47' ' ' VAL . 40.0 mtmt -102.31 133.97 46.35 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.208 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.35 100.31 10.16 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 169.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -100.83 135.16 42.71 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 HD21 ' B' ' 25' ' ' LEU . 2.5 tm? -99.36 129.52 45.57 Favored 'General case' 0 N--CA 1.388 -3.551 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -144.15 119.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.49 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 58.11 21.12 7.61 Favored 'General case' 0 N--CA 1.508 2.473 0 C-N-CA 124.977 1.311 . . . . 0.0 113.013 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.38 11.75 66.18 Favored Glycine 0 C--N 1.295 -1.738 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.213 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.88 154.35 34.48 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 117.988 0.894 . . . . 0.0 109.212 172.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 29.5 mt -89.02 115.7 26.77 Favored 'General case' 0 CA--C 1.482 -1.663 0 CA-C-O 121.744 0.783 . . . . 0.0 109.516 -178.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.7 mm -103.25 102.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.218 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.096 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 62.9 mt -100.85 104.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.978 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.822 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -111.93 136.17 21.23 Favored Pre-proline 0 C--N 1.278 -2.526 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -79.35 168.12 20.46 Favored 'Trans proline' 0 N--CA 1.413 -3.219 0 C-N-CA 120.774 0.983 . . . . 0.0 109.624 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.4 t . . . . . 0 C--N 1.263 -3.154 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.6 mt . . . . . 0 N--CA 1.43 -1.44 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -85.02 134.37 34.22 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.304 0.573 . . . . 0.0 110.707 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 39.7 m -145.66 -165.46 2.2 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 124.34 1.056 . . . . 0.0 108.808 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.541 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 15.3 p -149.39 153.79 37.91 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-O 120.722 0.296 . . . . 0.0 110.553 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 43.4 t -85.58 122.52 38.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.541 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 75.7 mmtt -110.66 176.38 5.06 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -109.13 119.73 40.4 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.785 -0.572 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -113.37 96.89 6.14 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.94 -129.29 11.66 Favored Glycine 0 N--CA 1.42 -2.383 0 N-CA-C 107.919 -2.072 . . . . 0.0 107.919 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -95.85 11.14 34.77 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-O 120.989 0.423 . . . . 0.0 110.73 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 59.0 p -120.84 130.1 25.01 Favored Pre-proline 0 N--CA 1.418 -2.067 0 O-C-N 120.683 -1.261 . . . . 0.0 111.747 -175.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -60.97 125.7 17.76 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.632 2.222 . . . . 0.0 109.887 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.64 139.42 40.27 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.16 0.505 . . . . 0.0 110.403 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.87 138.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -83.14 105.67 14.31 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.25 131.02 45.62 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -60.53 130.97 35.73 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 122.277 1.985 . . . . 0.0 111.696 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.85 68.02 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.432 0.693 . . . . 0.0 110.932 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -57.8 -39.07 76.67 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.304 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.46 -35.26 53.99 Favored 'General case' 0 CA--C 1.484 -1.562 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 82.4 mmm -54.17 -46.56 72.35 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.82 -35.3 78.38 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.533 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.27 69.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.479 0.656 . . . . 0.0 111.965 -175.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 77.4 mt -93.37 -13.31 28.22 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.952 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 t30 66.05 66.57 0.49 Allowed 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.756 1.623 . . . . 0.0 112.368 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.4 pt? -134.11 165.2 25.62 Favored 'General case' 0 N--CA 1.404 -2.726 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.533 172.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.4 HD22 ' C ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER -126.92 -178.71 4.5 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 123.558 0.743 . . . . 0.0 109.262 177.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.96 142.86 15.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.4 t70 78.56 7.72 2.25 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.583 1.953 . . . . 0.0 111.669 177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -82.77 139.73 33.42 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -79.85 134.82 36.34 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.011 -173.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.466 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.8 m -131.2 154.63 40.94 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 41.1 mtmt -101.04 137.05 39.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 120.871 0.367 . . . . 0.0 110.47 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -104.83 99.55 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.071 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 170.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -100.31 139.7 35.6 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.407 HD13 ' N ' ' B' ' 38' ' ' VAL . 2.1 tm? -102.75 130.16 49.62 Favored 'General case' 0 N--CA 1.383 -3.796 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.407 ' N ' HD13 ' B' ' 37' ' ' LEU . 87.3 t -145.54 119.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.943 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 57.71 21.08 6.97 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 125.424 1.49 . . . . 0.0 113.831 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.71 14.59 65.04 Favored Glycine 0 C--N 1.286 -2.231 0 C-N-CA 119.324 -1.417 . . . . 0.0 113.085 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.79 35.4 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 117.674 0.737 . . . . 0.0 109.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 72.4 mt -88.96 115.93 26.87 Favored 'General case' 0 CA--C 1.478 -1.804 0 CA-C-O 121.834 0.826 . . . . 0.0 110.137 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 24.9 mm -103.34 101.73 12.63 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.24 0 CA-C-N 114.275 -1.33 . . . . 0.0 107.836 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 59.2 mt -100.07 104.64 16.4 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.888 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.823 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 35.9 tt0 -112.72 136.04 21.58 Favored Pre-proline 0 C--N 1.279 -2.462 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.9 Cg_endo -79.18 168.73 20.01 Favored 'Trans proline' 0 N--CA 1.418 -2.961 0 C-N-CA 121.003 1.135 . . . . 0.0 109.496 -176.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.2 t . . . . . 0 C--N 1.262 -3.201 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.649 -177.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.2 mt . . . . . 0 N--CA 1.44 -0.938 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -102.38 137.45 40.61 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 28.8 m -153.77 -165.6 2.17 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -144.4 154.88 43.44 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.95 122.17 32.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -113.78 167.69 10.42 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HE ' HG13 ' B' ' 29' ' ' ILE . 16.4 ttm180 -103.6 116.56 32.58 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -173.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -105.31 97.7 7.51 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.14 -130.09 11.12 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -98.3 17.67 18.19 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 117.289 0.544 . . . . 0.0 111.117 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -128.04 134.84 26.67 Favored Pre-proline 0 N--CA 1.413 -2.308 0 O-C-N 121.459 -0.776 . . . . 0.0 110.702 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.2 Cg_endo -68.21 134.63 32.0 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.111 2.541 . . . . 0.0 112.471 176.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.0 143.5 40.64 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.412 HG23 HD13 ' B' ' 17' ' ' ILE . 88.0 t -102.68 131.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -84.92 131.05 34.55 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.443 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.414 HD13 HG23 ' B' ' 15' ' ' VAL . 2.3 mp -112.13 134.8 21.37 Favored Pre-proline 0 C--N 1.301 -1.509 0 C-N-CA 122.997 0.519 . . . . 0.0 109.92 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -68.15 137.98 42.16 Favored 'Trans proline' 0 C--O 1.25 1.112 0 C-N-CA 121.845 1.697 . . . . 0.0 111.35 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.17 -26.2 64.58 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 121.192 0.52 . . . . 0.0 111.035 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -59.44 -39.96 85.26 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 123.54 0.736 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.16 -34.77 56.35 Favored 'General case' 0 CA--C 1.48 -1.724 0 CA-C-O 121.143 0.497 . . . . 0.0 110.744 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.51 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 83.2 mmm -55.86 -47.65 76.94 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.684 174.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.3 mt-30 -65.94 -34.13 77.41 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.86 174.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.05 71.65 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.589 0.709 . . . . 0.0 111.365 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.8 mt -93.51 -7.24 44.86 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.023 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.48 66.27 0.88 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.821 1.248 . . . . 0.0 112.987 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.2 pt? -135.18 164.51 27.53 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.022 171.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.94 -169.87 2.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.42 HG13 ' HE ' ' B' ' 8' ' ' ARG . 50.4 mm -71.41 138.55 21.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.295 3.8 m-20 83.27 8.01 0.68 Allowed 'General case' 0 CA--C 1.489 -1.374 0 C-N-CA 126.084 1.754 . . . . 0.0 114.533 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.26 125.05 28.7 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' SER . 35.7 tt0 -67.21 137.06 55.92 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.443 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.62 152.77 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-O 121.245 0.545 . . . . 0.0 110.762 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -95.94 113.03 24.61 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.795 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.95 97.4 6.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.674 -1.972 . . . . 0.0 105.674 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.5 130.87 55.48 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.91 125.4 33.31 Favored 'General case' 0 N--CA 1.394 -3.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -144.87 121.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.971 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 59.72 32.88 21.67 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.511 1.148 . . . . 0.0 111.231 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.38 2.42 87.52 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.043 -0.981 . . . . 0.0 114.147 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.23 164.2 21.5 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 118.216 1.008 . . . . 0.0 111.122 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.46 124.54 37.52 Favored 'General case' 0 CA--C 1.482 -1.664 0 CA-C-O 121.656 0.741 . . . . 0.0 109.29 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.456 HD12 HD12 ' B' ' 43' ' ' ILE . 23.1 mm -103.49 123.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.251 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.977 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -104.03 105.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' HG22 ' A' ' 43' ' ' ILE . 49.3 mt-10 -116.25 147.24 39.03 Favored Pre-proline 0 C--N 1.293 -1.865 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -89.82 164.05 5.05 Favored 'Trans proline' 0 N--CA 1.401 -3.954 0 C-N-CA 120.991 1.127 . . . . 0.0 110.199 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.253 -3.608 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 178.112 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 62.6 mt . . . . . 0 N--CA 1.434 -1.27 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -97.44 136.75 37.43 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 120.995 0.426 . . . . 0.0 110.255 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 64.3 m -153.35 -165.9 2.28 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -147.61 150.12 33.83 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.1 118.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -110.63 167.91 9.86 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . 0.42 ' HE ' HG13 ' A' ' 29' ' ' ILE . 17.1 ttm180 -102.75 116.68 33.06 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -106.17 95.99 6.16 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.29 -125.53 7.03 Favored Glycine 0 N--CA 1.424 -2.166 0 N-CA-C 108.686 -1.766 . . . . 0.0 108.686 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -109.19 28.65 8.29 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-N 117.259 0.529 . . . . 0.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -141.16 141.39 23.47 Favored Pre-proline 0 N--CA 1.409 -2.478 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.51 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 29.4 Cg_endo -72.89 136.07 24.5 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 123.464 2.776 . . . . 0.0 112.925 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.97 43.22 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.041 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.414 HG23 HD13 ' A' ' 17' ' ' ILE . 78.3 t -101.04 131.59 48.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -85.66 129.31 34.86 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.896 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.412 HD13 HG23 ' A' ' 15' ' ' VAL . 2.2 mp -110.09 136.72 20.44 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 122.861 0.464 . . . . 0.0 109.869 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.13 139.48 39.06 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.032 1.822 . . . . 0.0 111.146 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.34 -24.45 67.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.91 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -57.33 -42.87 82.75 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.606 0.763 . . . . 0.0 110.086 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.22 -33.37 59.24 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.398 0.618 . . . . 0.0 110.964 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.48 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 85.1 mmm -56.72 -47.26 80.36 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.704 174.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -65.05 -37.46 87.64 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.261 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.73 81.21 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 65.3 mt -96.17 -7.44 35.8 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.715 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t30 61.89 65.99 0.86 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.206 1.403 . . . . 0.0 113.252 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -134.56 165.02 26.17 Favored 'General case' 0 N--CA 1.409 -2.508 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.629 172.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.3 -166.3 1.78 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.532 HG13 ' HE ' ' A' ' 8' ' ' ARG . 51.1 mm -74.97 140.44 17.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . 0.286 7.9 m-20 82.76 5.04 0.97 Allowed 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 125.563 1.545 . . . . 0.0 114.218 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.37 122.43 23.75 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' SER . 26.8 tt0 -70.44 136.21 49.34 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.683 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.53 151.55 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.53 0 CA-C-O 121.063 0.458 . . . . 0.0 110.771 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -93.03 115.57 28.23 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.452 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.83 97.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.9 132.38 54.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -175.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.7 125.08 32.92 Favored 'General case' 0 N--CA 1.386 -3.648 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.409 ' HB ' ' CG1' ' B' ' 43' ' ' ILE . 60.9 t -145.9 122.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.271 -176.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 59.9 27.77 17.17 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.603 1.161 . . . . 0.0 111.134 175.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.36 8.4 77.92 Favored Glycine 0 C--N 1.306 -1.104 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.726 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 164.24 23.85 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 117.709 0.754 . . . . 0.0 110.426 175.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -93.52 122.18 35.69 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 121.603 0.715 . . . . 0.0 109.616 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.456 HD12 HD12 ' A' ' 43' ' ' ILE . 28.4 mm -101.79 122.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.28 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.225 -178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.4 105.78 18.71 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -116.98 146.09 37.11 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -87.7 168.52 7.02 Favored 'Trans proline' 0 N--CA 1.402 -3.86 0 C-N-CA 120.968 1.112 . . . . 0.0 109.823 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.258 -3.413 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 177.623 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.3 mt . . . . . 0 N--CA 1.442 -0.875 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -94.55 143.2 26.62 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 m -152.65 -170.18 3.56 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 123.066 0.547 . . . . 0.0 109.78 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.553 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 16.8 p -152.61 154.93 36.35 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-O 120.826 0.346 . . . . 0.0 111.243 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.26 121.7 40.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 72.4 mmtt -116.57 165.79 12.84 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -100.03 117.64 34.74 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.213 0.53 . . . . 0.0 111.719 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -104.75 95.15 5.69 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.44 -116.66 6.27 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -175.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -109.6 27.93 9.07 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.87 0.335 . . . . 0.0 110.903 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -133.77 128.12 19.71 Favored Pre-proline 0 N--CA 1.411 -2.393 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.627 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 29.5 Cg_endo -70.21 125.76 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.05 1.833 . . . . 0.0 109.457 172.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.66 142.92 46.99 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.051 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -112.01 140.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.87 121.14 28.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.11 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -94.85 135.41 23.75 Favored Pre-proline 0 C--N 1.305 -1.357 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -67.61 137.89 43.83 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 121.424 1.416 . . . . 0.0 110.049 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.05 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.158 0.504 . . . . 0.0 111.17 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -56.45 -38.92 72.32 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 123.896 0.878 . . . . 0.0 110.399 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.9 mm? -76.22 -34.78 59.25 Favored 'General case' 0 CA--C 1.474 -1.958 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.167 -178.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.632 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 80.7 mtp -54.01 -48.73 70.15 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.078 174.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.91 -31.98 72.12 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.084 -1.417 . . . . 0.0 110.773 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 -32.42 62.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.19 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.493 HD11 ' HG ' ' B' ' 42' ' ' LEU . 66.5 mt -93.57 -16.3 24.54 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.586 -177.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.68 61.15 0.55 Allowed 'General case' 0 C--O 1.242 0.678 0 C-N-CA 126.201 1.8 . . . . 0.0 110.962 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.82 155.87 49.88 Favored 'General case' 0 N--CA 1.409 -2.501 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.893 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -121.78 -175.42 3.09 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.939 0.4 . . . . 0.0 110.895 -176.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.8 mm -69.81 140.96 17.79 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 72.39 22.09 3.55 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 125.707 1.603 . . . . 0.0 109.734 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -94.39 144.47 25.52 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.03 133.37 33.6 Favored 'General case' 0 C--N 1.278 -2.501 0 C-N-CA 123.919 0.888 . . . . 0.0 109.704 -173.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.2 m -126.44 157.66 36.92 Favored 'Isoleucine or valine' 0 C--O 1.247 0.974 0 CA-C-O 120.93 0.395 . . . . 0.0 110.476 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -102.78 122.85 45.33 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.441 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.96 108.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -115.37 142.37 46.79 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -99.97 126.5 46.15 Favored 'General case' 0 N--CA 1.386 -3.632 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 22.0 t -147.89 132.42 10.03 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.16 22.18 13.25 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.504 1.121 . . . . 0.0 110.599 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.25 68.81 Favored Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.676 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' B' ' 44' ' ' ILE . 15.6 pttt -141.08 163.65 32.38 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 117.489 0.645 . . . . 0.0 110.299 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HG ' HD11 ' B' ' 25' ' ' LEU . 55.6 mt -86.61 131.68 34.09 Favored 'General case' 0 CA--C 1.476 -1.868 0 CA-C-O 122.183 0.992 . . . . 0.0 110.396 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.53 HD12 HD12 ' B' ' 43' ' ' ILE . 45.9 mm -117.39 128.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.631 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.186 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 37.9 mm -113.52 104.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-O 121.506 0.67 . . . . 0.0 109.327 -174.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 42.6 tt0 -118.16 132.31 23.79 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 3.7 Cg_exo -76.71 170.27 20.2 Favored 'Trans proline' 0 N--CA 1.427 -2.426 0 C-N-CA 121.072 1.181 . . . . 0.0 111.022 -175.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.8 t . . . . . 0 C--N 1.274 -2.684 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.6 mt . . . . . 0 C--O 1.219 -0.547 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -105.01 138.46 41.18 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -145.88 -165.7 2.27 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.898 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.452 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.4 p -154.66 153.99 32.23 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.997 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.88 118.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.452 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.4 mmtt -113.41 168.39 9.78 Favored 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -101.61 121.39 41.91 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.301 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -108.9 97.95 7.51 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.49 -116.95 5.99 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -113.08 30.42 7.2 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 120.801 0.334 . . . . 0.0 110.121 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -133.71 129.35 20.32 Favored Pre-proline 0 N--CA 1.408 -2.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.632 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 32.5 Cg_endo -71.32 127.07 12.92 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.161 1.908 . . . . 0.0 109.57 172.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -135.67 141.26 44.96 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.924 0.392 . . . . 0.0 110.222 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 p -110.25 139.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -85.01 123.27 30.36 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.005 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.54 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mp -97.45 134.23 22.83 Favored Pre-proline 0 C--N 1.31 -1.123 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -67.32 134.75 34.51 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 121.265 1.31 . . . . 0.0 109.971 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -60.32 -28.27 68.0 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.315 0.579 . . . . 0.0 111.195 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.7 m -59.52 -36.25 75.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.206 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 3.9 mm? -77.49 -35.33 53.75 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.627 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.8 mtp -52.79 -48.29 66.97 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.589 0.709 . . . . 0.0 109.186 173.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 89.3 mt-30 -68.85 -28.69 66.95 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.43 55.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.051 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.479 HD11 ' HG ' ' A' ' 42' ' ' LEU . 73.7 mt -93.7 -21.03 19.6 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.325 0.583 . . . . 0.0 110.025 -178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 t30 70.82 61.01 0.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 126.013 1.725 . . . . 0.0 110.806 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -135.03 157.2 47.55 Favored 'General case' 0 N--CA 1.401 -2.901 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.37 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -125.12 -175.17 3.23 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.522 0.201 . . . . 0.0 110.749 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -72.06 138.55 21.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 74.21 24.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.699 1.6 . . . . 0.0 109.713 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.04 143.21 29.57 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.32 135.43 35.2 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.198 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.434 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.5 m -129.62 155.66 41.49 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -101.3 123.66 45.76 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 mm -101.34 107.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -114.57 144.27 43.66 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -102.7 126.79 49.93 Favored 'General case' 0 N--CA 1.385 -3.702 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 46.8 t -147.93 133.82 11.95 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 61.36 22.12 12.56 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.714 1.205 . . . . 0.0 111.569 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 26.15 65.92 Favored Glycine 0 N--CA 1.437 -1.27 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.614 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 18.2 pttt -141.78 163.19 33.56 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 117.06 0.43 . . . . 0.0 110.179 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.493 ' HG ' HD11 ' A' ' 25' ' ' LEU . 65.9 mt -85.87 129.63 34.78 Favored 'General case' 0 CA--C 1.475 -1.928 0 CA-C-O 121.914 0.864 . . . . 0.0 110.711 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.53 HD12 HD12 ' A' ' 43' ' ' ILE . 40.7 mm -115.02 129.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.493 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 41.6 mm -114.05 104.57 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 43.2 tt0 -118.3 131.25 24.3 Favored Pre-proline 0 C--N 1.286 -2.157 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 3.2 Cg_exo -75.97 169.04 22.94 Favored 'Trans proline' 0 N--CA 1.426 -2.458 0 C-N-CA 121.043 1.162 . . . . 0.0 111.341 -175.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' B' ' 33' ' ' VAL . 25.9 t . . . . . 0 C--N 1.278 -2.523 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.9 mt . . . . . 0 N--CA 1.442 -0.825 0 CA-C-O 120.669 0.271 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -87.41 109.15 19.36 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.197 0.522 . . . . 0.0 111.003 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.473 ' OG ' HG22 ' B' ' 33' ' ' VAL . 91.1 p -107.05 -152.89 0.49 Allowed 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 123.624 0.77 . . . . 0.0 109.482 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m -160.38 131.04 5.48 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.82 110.19 4.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -104.91 167.33 9.78 Favored 'General case' 0 C--N 1.281 -2.413 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -101.15 118.17 36.45 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.304 0.573 . . . . 0.0 110.956 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -105.27 96.1 6.29 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.09 -121.63 7.16 Favored Glycine 0 N--CA 1.435 -1.381 0 N-CA-C 108.24 -1.944 . . . . 0.0 108.24 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -107.87 24.89 12.26 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 117.728 0.764 . . . . 0.0 110.502 173.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -129.05 127.38 23.33 Favored Pre-proline 0 N--CA 1.406 -2.631 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -65.75 132.23 29.99 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.164 1.909 . . . . 0.0 109.499 172.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -132.64 140.81 48.35 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.085 0.469 . . . . 0.0 111.086 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.26 130.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -79.18 129.39 34.41 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 123.425 0.453 . . . . 0.0 111.337 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -102.27 127.83 29.78 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.47 138.58 71.56 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 121.939 1.76 . . . . 0.0 110.772 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.51 -27.43 69.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.144 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 m -59.06 -43.11 91.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.657 0.783 . . . . 0.0 109.925 175.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.24 -36.92 61.25 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.512 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mmm -51.77 -52.66 47.22 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 124.345 1.028 . . . . 0.0 109.479 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -68.84 -31.53 70.57 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.657 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.87 75.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.666 0.745 . . . . 0.0 110.418 -176.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.5 mt -94.58 -4.09 48.48 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.578 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.19 29.96 19.46 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.93 1.292 . . . . 0.0 112.748 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -100.84 155.98 17.62 Favored 'General case' 0 N--CA 1.411 -2.405 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -127.85 -178.2 4.41 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.437 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.63 142.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 79.22 17.49 0.87 Allowed 'General case' 0 CA--C 1.493 -1.247 0 C-N-CA 125.475 1.51 . . . . 0.0 112.292 -177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' B' ' 5' ' ' SER . 17.3 t70 -85.68 123.45 31.09 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' B' ' 4' ' ' SER . 31.8 tt0 -73.38 131.44 41.87 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.268 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.2 m -128.85 155.69 40.96 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.755 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -92.83 121.96 34.73 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.171 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.03 95.24 4.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 103.903 -2.628 . . . . 0.0 103.903 166.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -110.72 136.25 50.08 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 123.383 0.427 . . . . 0.0 110.093 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -93.25 131.45 38.35 Favored 'General case' 0 N--CA 1.385 -3.717 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -151.44 122.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 66.95 21.86 10.23 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.474 1.13 . . . . 0.0 110.909 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.12 11.3 74.85 Favored Glycine 0 C--N 1.317 -0.52 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.534 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HD3' HG23 ' B' ' 43' ' ' ILE . 21.5 ttmm -107.21 146.95 30.75 Favored 'General case' 0 N--CA 1.413 -2.317 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.91 122.36 34.36 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-O 121.894 0.854 . . . . 0.0 109.916 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.409 HG23 ' HD3' ' B' ' 41' ' ' LYS . 42.9 mm -100.94 122.87 53.51 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.056 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.637 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.67 115.21 48.86 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.491 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -134.58 149.41 70.83 Favored Pre-proline 0 C--N 1.287 -2.124 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -83.4 170.43 11.84 Favored 'Trans proline' 0 N--CA 1.41 -3.423 0 C-N-CA 121.568 1.512 . . . . 0.0 108.371 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.8 t . . . . . 0 C--N 1.261 -3.245 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt . . . . . 0 N--CA 1.448 -0.566 0 CA-C-O 120.592 0.235 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -87.83 123.96 33.14 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 76.7 p -121.36 -156.2 0.67 Allowed 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.792 0.837 . . . . 0.0 109.497 -177.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 39.2 m -156.43 133.77 10.7 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.3 110.8 12.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -104.6 169.89 8.2 Favored 'General case' 0 C--N 1.282 -2.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -103.45 114.91 29.56 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 121.153 0.501 . . . . 0.0 111.538 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -102.26 95.45 6.31 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.67 -121.19 8.58 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -104.02 18.67 21.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 117.348 0.574 . . . . 0.0 111.036 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -125.47 125.74 25.07 Favored Pre-proline 0 N--CA 1.416 -2.175 0 O-C-N 121.76 -0.588 . . . . 0.0 109.656 -173.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -63.19 131.15 31.18 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.136 1.891 . . . . 0.0 109.448 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -132.44 140.3 48.36 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-O 120.974 0.416 . . . . 0.0 111.438 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.13 128.12 65.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.44 125.54 29.49 Favored 'General case' 0 C--N 1.315 -0.891 0 O-C-N 123.559 0.537 . . . . 0.0 111.49 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -98.78 127.76 34.52 Favored Pre-proline 0 C--N 1.305 -1.343 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -61.74 137.7 70.01 Favored 'Trans proline' 0 C--O 1.252 1.196 0 C-N-CA 122.16 1.907 . . . . 0.0 110.878 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -26.47 68.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.176 0.512 . . . . 0.0 110.08 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -58.35 -44.27 88.69 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.827 0.851 . . . . 0.0 109.882 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.62 -36.6 60.2 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.648 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mmm -52.09 -50.48 61.52 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.528 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.63 -30.8 68.6 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.454 -1.248 . . . . 0.0 111.759 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -38.67 74.91 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.836 0.827 . . . . 0.0 110.657 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.2 mt -95.73 -1.06 50.69 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.736 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 61.2 21.93 12.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.139 1.376 . . . . 0.0 113.121 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -96.2 153.73 17.64 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -125.74 178.97 5.39 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.39 -177.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.65 139.46 21.05 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 79.61 15.67 0.9 Allowed 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 125.859 1.664 . . . . 0.0 112.808 -176.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -83.07 123.08 29.14 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' SER . 31.3 tt0 -71.29 134.03 46.49 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.699 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.473 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -131.62 151.43 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.699 -179.031 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.75 124.77 34.45 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.55 94.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 103.507 -2.775 . . . . 0.0 103.507 165.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.406 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 37.8 t70 -110.91 130.67 55.51 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.981 -174.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -88.73 130.94 35.23 Favored 'General case' 0 N--CA 1.389 -3.48 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -151.57 127.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 64.26 21.17 12.45 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.44 1.114 . . . . 0.0 110.934 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.88 70.82 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.416 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 43' ' ' ILE . 21.4 ttmm -112.36 148.16 34.85 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.62 122.24 34.01 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-O 121.707 0.765 . . . . 0.0 110.227 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.546 HG23 ' HD3' ' A' ' 41' ' ' LYS . 47.0 mm -102.33 122.58 54.8 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-N 114.13 -1.395 . . . . 0.0 108.647 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.13 115.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.644 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -135.74 146.58 57.75 Favored Pre-proline 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -85.48 161.34 11.03 Favored 'Trans proline' 0 N--CA 1.408 -3.523 0 C-N-CA 121.672 1.582 . . . . 0.0 109.09 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 15.7 t . . . . . 0 C--N 1.251 -3.691 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 -179.445 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.2 mt . . . . . 0 N--CA 1.44 -0.939 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 104.73 8.31 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.496 ' OG ' HG22 ' B' ' 33' ' ' VAL . 81.5 p -96.74 -156.61 0.54 Allowed 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.697 -175.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 33.5 p -166.29 126.82 1.7 Allowed 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.7 117.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.4 mmtt -105.88 169.44 8.48 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -176.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.57 112.53 25.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.004 0.43 . . . . 0.0 111.756 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -103.27 95.71 6.28 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.88 -115.43 4.12 Favored Glycine 0 N--CA 1.422 -2.244 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -115.17 28.01 8.99 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 173.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.4 m -135.71 134.46 20.8 Favored Pre-proline 0 N--CA 1.417 -2.088 0 O-C-N 122.105 -0.372 . . . . 0.0 110.083 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 18.2 Cg_endo -67.53 126.18 14.45 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.721 2.281 . . . . 0.0 111.347 176.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.09 137.43 36.19 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.342 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.452 HG12 HD11 ' B' ' 17' ' ' ILE . 11.0 p -110.96 139.54 34.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.47 120.35 25.81 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.74 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 HG12 ' B' ' 15' ' ' VAL . 3.2 mp -92.96 130.04 37.66 Favored Pre-proline 0 C--N 1.297 -1.695 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -60.26 127.42 22.97 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 122.112 1.875 . . . . 0.0 110.782 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.72 -30.66 65.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.106 0.562 . . . . 0.0 111.189 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 m -56.63 -36.08 69.07 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.665 0.786 . . . . 0.0 110.684 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.26 -33.93 28.97 Favored 'General case' 0 CA--C 1.484 -1.574 0 C-N-CA 122.809 0.444 . . . . 0.0 111.002 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.9 -47.8 70.77 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.067 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.39 -35.33 79.09 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.171 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.71 64.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.507 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 69.7 mt -102.51 -9.57 20.09 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.867 0.842 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 t30 60.83 68.59 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.411 1.884 . . . . 0.0 112.89 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -131.32 161.27 32.72 Favored 'General case' 0 N--CA 1.402 -2.837 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.527 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -127.2 -169.33 2.02 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.147 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -77.63 145.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.43 27.04 5.06 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 125.062 1.345 . . . . 0.0 109.098 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 5' ' ' SER . 21.0 t0 -99.3 136.04 39.83 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' B' ' 4' ' ' SER . 38.6 tt0 -86.76 126.0 34.3 Favored 'General case' 0 C--N 1.28 -2.432 0 C-N-CA 124.26 1.024 . . . . 0.0 110.147 -173.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.7 m -126.77 158.86 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.192 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -91.88 121.45 33.5 Favored 'General case' 0 C--N 1.286 -2.171 0 C-N-CA 119.045 -1.062 . . . . 0.0 110.973 174.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.406 HG22 HD22 ' A' ' 42' ' ' LEU . 14.0 mm -89.85 90.26 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 11.7 t70 -103.51 123.39 46.82 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -171.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -86.27 127.06 34.71 Favored 'General case' 0 N--CA 1.387 -3.589 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -143.71 124.97 10.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.052 -1.431 . . . . 0.0 108.671 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 55.64 23.05 5.78 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.253 1.421 . . . . 0.0 112.959 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.34 13.47 68.16 Favored Glycine 0 C--N 1.297 -1.609 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.576 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 158.0 33.68 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 26.0 mt -91.51 120.34 32.24 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-O 121.973 0.892 . . . . 0.0 108.959 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 50.9 mm -101.63 123.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.228 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.635 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.8 mm -107.11 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.734 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.97 133.54 23.92 Favored Pre-proline 0 C--N 1.294 -1.805 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -81.42 165.34 18.61 Favored 'Trans proline' 0 N--CA 1.401 -3.918 0 C-N-CA 120.838 1.025 . . . . 0.0 109.55 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 33' ' ' VAL . 33.5 t . . . . . 0 C--N 1.265 -3.078 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 -178.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 59.1 mt . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -76.02 107.75 8.45 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . 0.543 ' OG ' HG22 ' A' ' 33' ' ' VAL . 64.4 p -101.44 -159.18 0.72 Allowed 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.27 -174.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 15.2 p -164.52 125.96 2.18 Favored 'General case' 0 N--CA 1.415 -2.189 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 176.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.64 112.36 16.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -101.28 174.16 6.12 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -107.78 112.47 25.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.092 0.472 . . . . 0.0 111.696 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -104.22 98.7 8.46 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.85 -120.16 5.61 Favored Glycine 0 N--CA 1.425 -2.043 0 N-CA-C 107.402 -2.279 . . . . 0.0 107.402 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -115.25 31.36 6.75 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 117.073 0.436 . . . . 0.0 110.419 172.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -134.05 135.03 23.62 Favored Pre-proline 0 N--CA 1.42 -1.953 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 18.8 Cg_endo -67.13 127.45 16.79 Favored 'Trans proline' 0 C--O 1.246 0.908 0 C-N-CA 122.891 2.394 . . . . 0.0 111.399 175.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.34 137.58 34.21 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.359 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.423 HG12 HD11 ' A' ' 17' ' ' ILE . 11.3 p -109.53 140.78 26.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.75 120.05 25.98 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -93.99 129.28 38.18 Favored Pre-proline 0 C--N 1.305 -1.356 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -59.44 127.94 25.57 Favored 'Trans proline' 0 C--O 1.253 1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 110.927 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.1 63.07 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.27 0.628 . . . . 0.0 111.197 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -58.81 -39.16 80.34 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.547 0.739 . . . . 0.0 110.387 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.38 -32.94 43.22 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.6 mmm -54.23 -48.02 71.54 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.434 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.98 -33.99 72.78 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.589 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.2 75.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.353 0.597 . . . . 0.0 111.75 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 75.3 mt -95.08 -14.95 23.79 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.393 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 66.8 70.17 0.4 Allowed 'General case' 0 C--O 1.254 1.298 0 C-N-CA 125.68 1.592 . . . . 0.0 112.483 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -133.83 160.23 38.24 Favored 'General case' 0 N--CA 1.396 -3.143 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.566 172.662 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -126.67 -171.96 2.53 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -76.74 142.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 71.07 25.49 3.68 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.196 1.798 . . . . 0.0 109.578 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 5' ' ' SER . 9.9 t70 -95.39 132.57 40.3 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.7 tt0 -82.11 127.03 32.71 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.895 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' VAL . . . . . 0.496 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.2 m -129.0 153.87 39.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.794 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -87.41 126.55 34.94 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.011 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.474 HG22 HD22 ' B' ' 42' ' ' LEU . 15.7 mm -93.33 91.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 168.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -104.67 125.03 50.38 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -86.82 125.02 33.68 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-O 122.012 0.911 . . . . 0.0 109.078 -176.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -141.83 123.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.507 0 CA-C-N 114.01 -1.45 . . . . 0.0 108.985 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 57.14 21.62 6.67 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.772 1.229 . . . . 0.0 113.215 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.18 14.54 62.15 Favored Glycine 0 C--N 1.306 -1.112 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -128.1 158.44 38.0 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 173.03 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . 0.474 HD22 HG22 ' B' ' 35' ' ' ILE . 68.5 mt -90.58 120.82 31.98 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 121.84 0.829 . . . . 0.0 109.31 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 50.9 mm -102.56 126.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.32 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.821 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 46.8 mm -109.31 104.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.965 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.52 131.88 24.31 Favored Pre-proline 0 C--N 1.295 -1.793 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -80.24 164.84 21.66 Favored 'Trans proline' 0 N--CA 1.404 -3.776 0 C-N-CA 120.989 1.126 . . . . 0.0 109.45 -176.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' B' ' 33' ' ' VAL . 36.6 t . . . . . 0 C--N 1.266 -3.06 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 . . . . . 0 CA--C 1.519 -0.235 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -117.71 141.24 48.62 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 176.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -101.25 46.31 0.94 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 120.997 0.427 . . . . 0.0 110.934 -176.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 27.9 m -65.96 -18.14 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.682 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 56.9 t60 -68.16 -25.49 65.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.925 175.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -98.62 107.47 19.93 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.165 -174.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -111.76 131.71 55.14 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 174.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -108.14 105.1 14.68 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 120.438 -0.505 . . . . 0.0 110.61 -176.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 70.22 156.06 0.15 Allowed 'General case' 0 C--O 1.244 0.783 0 C-N-CA 124.875 1.27 . . . . 0.0 112.744 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -108.75 110.5 21.9 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.493 -0.776 . . . . 0.0 108.996 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 26.7 ttt -87.62 102.1 14.28 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 5.4 p -152.14 101.7 2.73 Favored 'General case' 0 C--N 1.29 -2.013 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.523 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.9 -39.36 94.27 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -79.02 -36.48 41.09 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.755 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -65.79 -38.26 88.54 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -69.41 114.37 7.58 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -92.16 82.27 5.03 Favored 'General case' 0 N--CA 1.408 -2.552 0 CA-C-O 121.697 0.76 . . . . 0.0 110.088 -170.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -66.84 -131.17 0.03 OUTLIER Glycine 0 C--N 1.291 -1.917 0 CA-C-N 113.237 -1.801 . . . . 0.0 112.276 173.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.1 mt -104.87 114.64 45.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 O-C-N 121.584 -0.951 . . . . 0.0 110.157 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -85.41 142.56 29.18 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.472 ' OG ' HG22 ' B' ' 33' ' ' VAL . 82.2 p -141.38 -158.83 0.9 Allowed 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 -175.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 20.9 t -161.31 134.06 6.16 Favored 'General case' 0 N--CA 1.413 -2.278 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 175.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t -84.89 116.88 29.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -110.24 176.15 5.16 Favored 'General case' 0 C--N 1.28 -2.428 0 C-N-CA 119.704 -0.798 . . . . 0.0 109.588 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -102.09 110.37 22.31 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.215 0.531 . . . . 0.0 111.174 -177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -97.91 96.46 8.2 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.017 -1.846 . . . . 0.0 106.017 176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.97 -118.43 4.71 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 107.278 -2.329 . . . . 0.0 107.278 -174.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -114.94 26.23 10.31 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 116.989 0.394 . . . . 0.0 110.354 172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.6 m -131.46 141.55 42.15 Favored Pre-proline 0 N--CA 1.418 -2.071 0 O-C-N 121.94 -0.475 . . . . 0.0 110.561 -172.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -68.5 121.04 7.95 Favored 'Trans proline' 0 C--N 1.322 -0.849 0 C-N-CA 123.251 2.634 . . . . 0.0 112.271 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.22 135.91 39.47 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG12 HD11 ' B' ' 17' ' ' ILE . 9.6 p -112.43 153.65 14.02 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.914 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 178.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 119.64 30.61 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.463 HD11 HG12 ' B' ' 15' ' ' VAL . 2.7 mp -86.62 129.36 53.16 Favored Pre-proline 0 C--N 1.302 -1.478 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.53 122.6 11.93 Favored 'Trans proline' 0 C--O 1.248 1.011 0 C-N-CA 122.308 2.005 . . . . 0.0 111.507 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.74 -28.26 67.2 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 123.478 0.711 . . . . 0.0 110.612 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.9 m -60.45 -39.29 87.02 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.418 177.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -81.39 -30.81 33.52 Favored 'General case' 0 CA--C 1.482 -1.667 0 O-C-N 121.988 -0.445 . . . . 0.0 110.972 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.9 mmm -52.75 -50.71 62.94 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.241 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -64.45 -37.61 88.13 Favored 'General case' 0 C--N 1.298 -1.668 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.058 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.83 -34.66 75.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.823 -0.626 . . . . 0.0 112.056 -173.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 ' HG ' ' B' ' 42' ' ' LEU . 95.0 mt -101.23 -3.32 29.22 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.782 -177.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 65.6 57.13 0.88 Allowed 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.119 1.367 . . . . 0.0 113.351 177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -128.83 158.72 37.92 Favored 'General case' 0 N--CA 1.412 -2.371 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 172.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -177.35 4.21 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.862 -177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.9 mm -63.95 142.02 17.4 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.439 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.8 t70 76.31 12.06 2.73 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.617 1.567 . . . . 0.0 110.609 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.57 ' O ' ' HA ' ' B' ' 5' ' ' SER . 5.5 t0 -85.07 164.98 17.88 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.2 tt0 -111.41 130.84 55.57 Favored 'General case' 0 C--N 1.261 -3.261 0 C-N-CA 123.619 0.767 . . . . 0.0 109.555 -175.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.8 m -121.82 157.91 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.177 0 C-N-CA 118.877 -1.129 . . . . 0.0 110.152 177.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 ttpp -108.42 116.36 31.82 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.037 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD22 ' A' ' 42' ' ' LEU . 4.0 mp -95.92 118.32 41.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -117.71 130.87 56.6 Favored 'General case' 0 C--N 1.278 -2.533 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.987 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -90.3 124.62 35.05 Favored 'General case' 0 N--CA 1.382 -3.873 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 175.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.4 t -139.48 108.26 3.43 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.985 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.361 -175.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 61.46 31.89 18.97 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 123.685 0.794 . . . . 0.0 112.322 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.39 17.41 76.13 Favored Glycine 0 C--N 1.308 -1.019 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.194 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -119.58 144.28 47.18 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.17 -1.418 . . . . 0.0 107.17 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.451 HD22 ' CG2' ' A' ' 35' ' ' ILE . 64.0 mt -94.74 118.33 31.56 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-O 122.061 0.934 . . . . 0.0 109.531 174.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.3 mm -105.43 123.18 59.58 Favored 'Isoleucine or valine' 0 C--N 1.264 -3.122 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.105 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 49.4 mm -100.72 114.26 39.11 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.3 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.859 -179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -118.11 137.51 24.6 Favored Pre-proline 0 C--N 1.296 -1.718 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_endo -86.17 165.06 9.85 Favored 'Trans proline' 0 N--CA 1.401 -3.916 0 CA-C-N 120.499 1.214 . . . . 0.0 109.318 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 41.4 t -100.17 104.28 15.93 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.163 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -76.26 132.62 39.98 Favored 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 113.451 -1.704 . . . . 0.0 113.456 -168.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.77 96.14 3.18 Favored 'General case' 0 N--CA 1.402 -2.851 0 CA-C-N 113.433 -1.712 . . . . 0.0 109.578 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 C--N 1.286 -2.195 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 . . . . . 0 CA--C 1.511 -0.555 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 -108.04 145.18 34.35 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 175.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -103.97 53.23 0.75 Allowed 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.359 0.6 . . . . 0.0 110.616 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 27.9 m -73.15 -12.07 15.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.421 0.629 . . . . 0.0 111.177 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -70.77 -27.63 64.07 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.098 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -96.84 104.94 16.98 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.23 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 14.2 p-80 -109.62 118.13 35.75 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -95.59 103.95 15.85 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 122.055 -0.403 . . . . 0.0 111.752 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 69.7 157.71 0.16 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.874 1.27 . . . . 0.0 113.151 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -108.82 101.44 10.55 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.722 179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 27.6 ttt -79.95 100.91 8.32 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.801 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 9.5 p -148.95 105.06 3.5 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.471 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -61.88 -43.49 98.73 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 115.133 -0.939 . . . . 0.0 113.143 -172.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -80.6 -39.92 26.67 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.91 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -62.49 -41.03 98.53 Favored 'General case' 0 C--O 1.245 0.851 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.241 -174.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.06 113.26 3.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -91.88 80.26 5.23 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-O 121.737 0.78 . . . . 0.0 110.317 -168.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -66.75 -126.35 0.02 OUTLIER Glycine 0 C--N 1.289 -2.037 0 CA-C-N 113.642 -1.617 . . . . 0.0 113.166 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.2 mt -107.4 118.51 55.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 O-C-N 121.731 -0.864 . . . . 0.0 109.791 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -92.08 137.6 32.23 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 120.956 0.408 . . . . 0.0 110.031 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.491 ' OG ' HG22 ' A' ' 33' ' ' VAL . 76.3 p -132.33 -153.97 0.59 Allowed 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.241 -173.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.57 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 17.1 t -166.35 132.8 2.5 Favored 'General case' 0 N--CA 1.41 -2.472 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 59.1 t -84.63 113.16 22.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.9 mmtt -106.48 176.62 5.11 Favored 'General case' 0 C--N 1.275 -2.667 0 C-N-CA 119.675 -0.81 . . . . 0.0 109.573 -177.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -101.94 113.76 27.25 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 120.845 0.355 . . . . 0.0 111.167 -176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.0 t90 -103.68 98.6 8.44 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 106.077 -1.823 . . . . 0.0 106.077 176.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.9 -119.55 5.26 Favored Glycine 0 N--CA 1.43 -1.712 0 N-CA-C 107.325 -2.31 . . . . 0.0 107.325 -175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -114.98 28.57 8.63 Favored 'General case' 0 C--N 1.291 -1.972 0 CA-C-N 117.175 0.488 . . . . 0.0 110.132 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 38.6 m -132.16 140.29 37.59 Favored Pre-proline 0 N--CA 1.418 -2.062 0 O-C-N 121.797 -0.564 . . . . 0.0 110.53 -173.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 19.7 Cg_endo -68.09 120.97 7.94 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.993 2.462 . . . . 0.0 112.04 175.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.83 134.36 38.8 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.463 HG12 HD11 ' A' ' 17' ' ' ILE . 9.6 p -112.06 152.61 13.87 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.982 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 123.25 33.23 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.452 HD11 HG12 ' A' ' 15' ' ' VAL . 2.7 mp -88.2 129.76 48.58 Favored Pre-proline 0 C--N 1.3 -1.553 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -58.41 123.69 14.17 Favored 'Trans proline' 0 C--O 1.25 1.084 0 C-N-CA 122.254 1.969 . . . . 0.0 111.578 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.47 -25.24 67.89 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.665 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.1 m -61.62 -39.23 90.54 Favored 'General case' 0 CA--C 1.564 1.501 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.953 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.84 -32.22 31.27 Favored 'General case' 0 CA--C 1.478 -1.807 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.142 -178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 89.8 mmm -51.7 -52.2 50.11 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.481 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -63.73 -37.02 85.79 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.571 176.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.62 -34.78 74.55 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.297 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -101.54 0.95 37.44 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.596 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 67.82 36.96 3.31 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 174.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -109.39 160.02 16.52 Favored 'General case' 0 N--CA 1.418 -2.055 0 O-C-N 122.004 -0.435 . . . . 0.0 110.495 174.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -176.37 4.12 Favored 'General case' 0 C--N 1.302 -1.457 0 C-N-CA 123.418 0.687 . . . . 0.0 111.494 -178.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.1 mm -65.45 141.67 17.85 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.041 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.909 175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 16.8 t70 74.75 12.0 3.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.205 1.802 . . . . 0.0 110.711 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.511 ' O ' ' HA ' ' A' ' 5' ' ' SER . 5.0 t0 -83.36 166.75 18.18 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 4' ' ' SER . 31.8 tt0 -113.5 129.68 56.5 Favored 'General case' 0 C--N 1.255 -3.525 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 -174.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.472 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.1 m -122.84 153.51 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.926 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.544 ' HG2' ' OD1' ' B' ' 36' ' ' ASP . 24.5 ttpp -106.27 117.65 34.59 Favored 'General case' 0 N--CA 1.427 -1.62 0 CA-C-O 121.321 0.582 . . . . 0.0 109.757 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.445 ' CG2' HD22 ' B' ' 42' ' ' LEU . 4.0 mp -95.4 114.31 31.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.544 ' OD1' ' HG2' ' B' ' 34' ' ' LYS . 0.9 OUTLIER -113.53 129.53 56.54 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.176 -178.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -91.81 125.23 36.44 Favored 'General case' 0 N--CA 1.384 -3.729 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 177.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -142.56 110.07 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.995 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.493 -175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.03 29.5 14.24 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.454 0.702 . . . . 0.0 112.366 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.14 20.96 74.69 Favored Glycine 0 C--N 1.309 -0.921 0 C-N-CA 120.795 -0.716 . . . . 0.0 111.936 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -122.98 142.66 50.59 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 177.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.445 HD22 ' CG2' ' B' ' 35' ' ' ILE . 53.4 mt -92.32 118.07 30.53 Favored 'General case' 0 CA--C 1.483 -1.62 0 CA-C-O 121.886 0.85 . . . . 0.0 109.834 175.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.04 123.33 62.09 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.058 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.248 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 50.4 mm -99.93 114.55 38.7 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.282 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.937 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -118.12 137.17 24.27 Favored Pre-proline 0 C--N 1.293 -1.873 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -87.11 162.07 8.64 Favored 'Trans proline' 1 N--CA 1.397 -4.18 0 CA-C-N 120.697 1.285 . . . . 0.0 109.435 178.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 32.2 t -95.67 107.5 19.7 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.053 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -77.57 133.66 38.43 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.139 -1.391 . . . . 0.0 114.322 -169.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.81 96.05 3.16 Favored 'General case' 0 N--CA 1.397 -3.096 0 CA-C-N 112.93 -1.941 . . . . 0.0 109.477 175.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 C--N 1.292 -1.932 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 177.227 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -94.39 143.88 26.02 Favored 'General case' 0 CA--C 1.498 -1.049 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 173.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -79.77 116.32 19.87 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.977 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.26 133.63 24.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-N 114.941 -1.027 . . . . 0.0 112.035 -175.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -84.8 95.07 8.86 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -147.11 161.98 39.77 Favored 'General case' 0 C--N 1.287 -2.128 0 N-CA-C 106.006 -1.85 . . . . 0.0 106.006 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -55.52 -34.4 64.63 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 123.876 0.735 . . . . 0.0 110.929 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -95.92 95.48 8.26 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -126.99 127.79 45.36 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 -176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -104.95 113.86 27.71 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -96.93 76.68 2.73 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 121.972 0.892 . . . . 0.0 112.034 -176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 6.2 m -63.21 -20.4 65.4 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.295 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.22 -14.83 63.28 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.71 0.804 . . . . 0.0 111.424 -178.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -83.54 -24.37 31.65 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.162 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -82.83 -25.19 32.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.763 0.792 . . . . 0.0 110.728 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -97.26 139.09 33.74 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -111.54 3.88 18.34 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.161 0.505 . . . . 0.0 110.234 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -87.1 150.64 23.0 Favored Glycine 1 N--CA 1.39 -4.372 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -174.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.87 109.72 11.62 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.365 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -71.62 133.82 45.96 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 120.248 -0.581 . . . . 0.0 110.02 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.9 m -149.64 -168.23 3.05 Favored 'General case' 0 C--N 1.279 -2.479 0 CA-C-N 115.076 -0.965 . . . . 0.0 108.485 -179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.5 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 67.7 m -150.59 160.47 43.78 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 118.1 0.409 . . . . 0.0 110.652 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.8 t -98.83 130.46 47.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.5 ' HE3' ' HB2' ' A' ' 5' ' ' SER . 0.6 OUTLIER -127.48 172.52 10.62 Favored 'General case' 0 C--N 1.274 -2.68 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.081 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttt180 -107.6 120.86 43.4 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 119.305 -0.958 . . . . 0.0 110.758 -175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -102.3 94.82 5.91 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.07 -131.14 13.35 Favored Glycine 0 N--CA 1.427 -1.908 0 N-CA-C 107.571 -2.212 . . . . 0.0 107.571 -173.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -93.34 8.64 39.63 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 117.869 0.834 . . . . 0.0 112.553 173.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -113.57 129.45 24.65 Favored Pre-proline 0 N--CA 1.412 -2.36 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -173.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -63.2 130.55 29.12 Favored 'Trans proline' 0 C--N 1.301 -1.945 0 C-N-CA 122.569 2.179 . . . . 0.0 110.161 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.31 138.59 45.08 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-O 121.268 0.556 . . . . 0.0 110.724 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 96.8 t -108.02 137.87 37.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 177.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -82.76 117.23 22.52 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.264 179.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -100.18 134.95 20.47 Favored Pre-proline 0 C--N 1.302 -1.471 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.949 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.33 125.74 17.64 Favored 'Trans proline' 0 C--O 1.251 1.144 0 C-N-CA 122.55 2.167 . . . . 0.0 111.139 175.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.74 -27.09 66.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.111 0.482 . . . . 0.0 111.328 -178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -60.49 -33.86 73.21 Favored 'General case' 0 CA--C 1.561 1.403 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.813 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.88 -33.2 34.51 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-O 121.214 0.53 . . . . 0.0 110.855 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.402 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 56.4 mmm -53.92 -51.81 62.56 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.292 172.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 89.5 mt-30 -62.02 -34.31 75.97 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 114.147 -1.388 . . . . 0.0 110.843 177.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.77 -31.51 68.32 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.443 0.64 . . . . 0.0 111.243 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.1 mt -98.1 -1.61 41.96 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.347 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 66.5 17.5 10.66 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 124.979 1.312 . . . . 0.0 113.093 178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 pp -98.69 162.83 12.91 Favored 'General case' 0 N--CA 1.416 -2.151 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -138.06 175.55 9.48 Favored 'General case' 0 C--N 1.282 -2.327 0 CA-C-O 121.302 0.572 . . . . 0.0 111.7 -171.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 140.67 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.349 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 174.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.5 t70 81.2 6.59 1.27 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.753 1.621 . . . . 0.0 111.19 178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -94.99 160.61 14.5 Favored 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -97.34 135.58 39.04 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 123.739 0.816 . . . . 0.0 110.548 -171.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 m -130.83 157.08 43.12 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.635 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.524 ' HG3' HG22 ' A' ' 47' ' ' VAL . 22.0 mtpp -93.32 122.71 36.01 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.474 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -95.54 95.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 104.606 -2.368 . . . . 0.0 104.606 164.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.421 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 9.1 t70 -99.47 135.56 40.7 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -173.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.45 123.57 37.94 Favored 'General case' 0 N--CA 1.393 -3.279 0 CA-C-O 121.631 0.729 . . . . 0.0 109.561 -175.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HB ' HG13 ' A' ' 43' ' ' ILE . 40.6 t -141.57 126.87 18.13 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 114.416 -1.265 . . . . 0.0 108.467 -178.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 59.55 21.6 10.15 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.779 1.232 . . . . 0.0 112.703 176.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.54 16.52 73.24 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 115.34 -0.846 . . . . 0.0 114.038 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -129.1 166.39 19.39 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 117.91 0.855 . . . . 0.0 110.274 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.83 125.5 33.33 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-O 121.933 0.873 . . . . 0.0 109.402 -176.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.586 HG13 ' HB ' ' A' ' 38' ' ' VAL . 44.0 mm -116.62 139.02 45.3 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.468 0 CA-C-N 114.311 -1.313 . . . . 0.0 108.977 -176.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 67.6 mt -113.19 111.09 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 CA-C-O 121.92 0.867 . . . . 0.0 109.86 -177.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 34' ' ' LYS . 33.0 tt0 -132.33 131.48 22.37 Favored Pre-proline 0 C--N 1.277 -2.568 0 N-CA-C 104.248 -2.501 . . . . 0.0 104.248 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -81.73 170.3 14.3 Favored 'Trans proline' 0 N--CA 1.417 -3.003 0 CA-C-N 120.161 1.093 . . . . 0.0 112.701 -171.679 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 34' ' ' LYS . 44.7 t -100.0 117.31 44.99 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.374 0 N-CA-C 106.263 -1.755 . . . . 0.0 106.263 178.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.71 130.01 35.34 Favored 'General case' 0 C--N 1.277 -2.544 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.624 -177.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -92.71 96.45 10.18 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 177.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--N 1.263 -3.162 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 -173.66 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 . . . . . 0 N--CA 1.468 0.466 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 -80.2 138.93 36.93 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 176.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -71.46 123.24 21.94 Favored 'General case' 0 C--N 1.308 -1.203 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.121 -177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 14.9 p -62.62 132.75 28.52 Favored 'Isoleucine or valine' 0 C--O 1.242 0.695 0 CA-C-N 115.146 -0.934 . . . . 0.0 112.229 -175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -85.88 92.21 8.58 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-O 121.933 0.873 . . . . 0.0 108.802 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -147.91 163.13 37.76 Favored 'General case' 0 N--CA 1.42 -1.958 0 N-CA-C 106.315 -1.735 . . . . 0.0 106.315 -176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -57.1 -33.8 67.68 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.32 0.648 . . . . 0.0 110.324 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -95.38 101.69 13.44 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -134.55 126.06 28.54 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 -174.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -104.84 110.56 22.97 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.163 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -96.05 82.48 3.5 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 122.161 0.981 . . . . 0.0 111.312 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 6.2 m -68.68 -14.53 63.08 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.619 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.39 -20.01 64.65 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.635 0.774 . . . . 0.0 110.723 -177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -75.65 -33.01 60.43 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.847 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -70.94 -40.03 72.29 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.185 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -87.14 143.9 27.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.031 -175.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 52.7 pttt -114.6 4.02 15.01 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.892 0.377 . . . . 0.0 110.369 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -93.47 144.5 17.12 Favored Glycine 0 N--CA 1.398 -3.883 0 N-CA-C 110.739 -0.944 . . . . 0.0 110.739 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 63.3 mt -69.38 113.21 4.88 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.807 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -75.28 131.83 40.6 Favored 'General case' 0 N--CA 1.436 -1.167 0 C-N-CA 119.708 -0.797 . . . . 0.0 110.401 177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 58.5 m -143.38 -167.65 2.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.692 179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.482 ' HB2' ' HE3' ' B' ' 7' ' ' LYS . 68.5 m -151.25 156.89 41.78 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 t -96.1 133.47 37.2 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.385 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.482 ' HE3' ' HB2' ' B' ' 5' ' ' SER . 0.6 OUTLIER -129.65 170.87 13.25 Favored 'General case' 0 C--N 1.279 -2.469 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 175.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -105.92 117.4 33.92 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 119.478 -0.889 . . . . 0.0 110.616 -175.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -99.01 97.71 8.83 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -126.19 12.73 Favored Glycine 0 N--CA 1.43 -1.726 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -98.49 14.79 27.0 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 112.516 0.562 . . . . 0.0 112.516 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 29.9 t -121.61 125.37 26.82 Favored Pre-proline 0 N--CA 1.406 -2.642 0 O-C-N 121.693 -0.629 . . . . 0.0 110.335 -174.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -59.84 128.4 26.69 Favored 'Trans proline' 0 C--O 1.246 0.912 0 C-N-CA 122.256 1.971 . . . . 0.0 109.59 171.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.458 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -133.12 139.13 46.93 Favored 'General case' 0 N--CA 1.422 -1.854 0 CA-C-O 121.134 0.492 . . . . 0.0 110.505 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.69 137.58 39.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 CA-C-N 115.43 -0.805 . . . . 0.0 108.85 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -82.41 118.42 23.19 Favored 'General case' 0 N--CA 1.437 -1.104 0 O-C-N 123.994 0.809 . . . . 0.0 111.261 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -101.48 134.75 20.07 Favored Pre-proline 0 C--N 1.3 -1.581 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -62.1 125.6 16.8 Favored 'Trans proline' 0 C--O 1.248 1.012 0 C-N-CA 122.229 1.952 . . . . 0.0 110.536 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.87 -28.09 67.23 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -177.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.2 m -58.1 -35.27 71.19 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 124.017 0.927 . . . . 0.0 111.122 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.52 -31.8 47.74 Favored 'General case' 0 CA--C 1.473 -1.991 0 CA-C-O 121.079 0.466 . . . . 0.0 111.16 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.455 ' HE2' ' HB3' ' B' ' 22' ' ' MET . 64.8 mtp -57.84 -48.27 80.27 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.762 174.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -61.76 -35.74 79.0 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.212 -1.358 . . . . 0.0 110.756 177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.4 72.22 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.601 -178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 82.5 mt -95.61 -0.92 51.29 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 61.26 25.29 15.29 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 125.115 1.366 . . . . 0.0 112.729 177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -105.1 159.22 16.01 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -134.73 176.06 8.98 Favored 'General case' 0 C--N 1.286 -2.186 0 CA-C-O 121.149 0.499 . . . . 0.0 111.94 -172.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -66.6 141.18 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 CA-C-N 114.91 -1.041 . . . . 0.0 108.23 175.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.8 t70 82.91 3.16 1.04 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.46 1.904 . . . . 0.0 111.317 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -91.96 159.0 15.95 Favored 'General case' 0 N--CA 1.42 -1.933 0 C-N-CA 119.184 -1.006 . . . . 0.0 108.734 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -97.0 134.58 40.18 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 124.282 1.033 . . . . 0.0 110.139 -172.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.21 155.7 42.1 Favored 'Isoleucine or valine' 0 C--O 1.247 0.923 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.174 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.52 ' HG3' HG22 ' B' ' 47' ' ' VAL . 22.5 mtpp -91.65 120.72 32.67 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.449 176.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.4 mp -93.03 95.88 5.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 104.58 -2.378 . . . . 0.0 104.58 164.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -99.07 144.08 28.62 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -174.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.41 124.47 48.04 Favored 'General case' 0 N--CA 1.384 -3.746 0 CA-C-O 121.373 0.606 . . . . 0.0 109.371 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.504 ' HB ' HG13 ' B' ' 43' ' ' ILE . 39.7 t -142.93 131.45 20.2 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.163 -179.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 58.88 21.84 9.58 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.85 0.86 . . . . 0.0 112.913 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.46 0.63 88.17 Favored Glycine 0 N--CA 1.437 -1.268 0 C-N-CA 120.917 -0.659 . . . . 0.0 113.84 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 35.6 pttt -118.7 166.32 12.91 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 117.871 0.835 . . . . 0.0 111.395 -177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 44.9 mt -84.02 125.66 32.3 Favored 'General case' 0 CA--C 1.485 -1.534 0 CA-C-O 121.775 0.798 . . . . 0.0 109.892 -176.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.504 HG13 ' HB ' ' B' ' 38' ' ' VAL . 43.8 mm -117.88 138.81 47.35 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.266 0 CA-C-N 114.755 -1.111 . . . . 0.0 109.034 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 66.8 mt -113.27 113.68 44.72 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.822 0.82 . . . . 0.0 109.877 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -134.39 132.51 20.99 Favored Pre-proline 0 C--N 1.278 -2.504 0 N-CA-C 104.276 -2.49 . . . . 0.0 104.276 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -79.79 170.73 16.47 Favored 'Trans proline' 0 N--CA 1.422 -2.704 0 C-N-CA 121.141 1.227 . . . . 0.0 112.37 -172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.52 HG22 ' HG3' ' B' ' 34' ' ' LYS . 45.3 t -100.35 116.84 44.57 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -78.37 124.14 27.78 Favored 'General case' 0 C--N 1.281 -2.381 0 CA-C-O 121.798 0.808 . . . . 0.0 110.981 -178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.6 95.96 9.54 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 . . . . . 0 C--N 1.269 -2.934 0 CA-C-N 113.766 -1.561 . . . . 0.0 107.242 -173.614 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 40.2 t30 . . . . . 0 N--CA 1.473 0.68 0 N-CA-C 111.615 0.228 . . . . 0.0 111.615 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -89.55 143.79 26.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.588 0.708 . . . . 0.0 112.241 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 6.7 tmtm? -130.06 90.17 2.92 Favored 'General case' 0 C--N 1.292 -1.902 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 20.0 m -132.93 3.12 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.213 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -169.61 172.08 7.13 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 -178.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 37.6 m80 71.22 116.01 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.557 1.161 . . . . 0.0 112.092 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -88.27 83.21 6.94 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -105.91 131.81 52.78 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 114.372 -1.286 . . . . 0.0 110.289 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -129.25 118.75 22.84 Favored 'General case' 0 C--N 1.285 -2.239 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -84.32 165.72 18.03 Favored 'General case' 0 C--N 1.309 -1.166 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 175.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 57.7 mtt 77.98 72.12 0.05 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 122.878 1.323 . . . . 0.0 111.067 -173.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . 0.466 ' H ' ' H ' ' A' ' -4' ' ' ASP . 19.3 m -150.54 -21.79 0.23 Allowed 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 113.227 -1.806 . . . . 0.0 107.171 176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . 0.466 ' H ' ' H ' ' A' ' -5' ' ' SER . 5.6 p-10 -81.34 -14.68 57.01 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 127.416 2.286 . . . . 0.0 110.41 177.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -108.58 5.19 24.81 Favored 'General case' 0 C--N 1.297 -1.708 0 C-N-CA 124.818 1.247 . . . . 0.0 109.401 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -46.69 -49.81 18.83 Favored 'General case' 0 C--O 1.247 0.969 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 -172.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -77.15 137.15 38.72 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.673 -173.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -135.48 28.07 3.36 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.509 -177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -63.29 -41.84 99.42 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.499 ' HB ' ' O ' ' B' ' 35' ' ' ILE . 60.0 mt -98.86 92.24 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.766 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 175.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -112.31 137.0 51.06 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.7 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.3 m -148.3 -161.3 1.31 Allowed 'General case' 0 C--N 1.277 -2.573 0 CA-C-N 115.33 -0.85 . . . . 0.0 108.724 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -154.56 168.72 25.8 Favored 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.44 HG22 ' CG1' ' A' ' 15' ' ' VAL . 45.6 t -95.66 129.71 45.38 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -117.45 172.46 7.31 Favored 'General case' 0 C--N 1.284 -2.273 0 C-N-CA 119.352 -0.939 . . . . 0.0 109.915 175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 ttm-85 -99.01 107.15 19.5 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-O 121.075 0.464 . . . . 0.0 110.921 -176.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.1 t90 -92.6 93.39 8.49 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.29 -117.69 5.09 Favored Glycine 0 N--CA 1.429 -1.82 0 N-CA-C 108.3 -1.92 . . . . 0.0 108.3 -175.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -112.31 28.06 9.1 Favored 'General case' 0 C--N 1.293 -1.856 0 CA-C-N 116.928 0.364 . . . . 0.0 111.393 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.8 m -140.35 132.97 14.68 Favored Pre-proline 0 N--CA 1.419 -1.998 0 O-C-N 121.401 -0.812 . . . . 0.0 109.906 -178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.47 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 10.4 Cg_endo -62.44 129.72 27.66 Favored 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 122.972 2.448 . . . . 0.0 112.3 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -137.38 140.05 41.15 Favored 'General case' 0 N--CA 1.428 -1.531 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.331 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.459 HG22 HD11 ' B' ' 17' ' ' ILE . 27.5 m -110.61 145.78 16.58 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -89.4 122.03 32.22 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 123.43 0.456 . . . . 0.0 110.578 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.489 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 3.2 mp -91.49 125.23 58.58 Favored Pre-proline 0 C--N 1.301 -1.516 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -59.39 131.75 42.51 Favored 'Trans proline' 0 C--O 1.247 0.94 0 C-N-CA 122.349 2.033 . . . . 0.0 111.739 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.39 -29.62 67.84 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.477 0.711 . . . . 0.0 110.668 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 m -60.06 -37.6 80.34 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.859 177.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -82.58 -32.27 28.55 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.847 -177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 89.3 mmm -52.73 -51.75 59.18 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.489 173.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.62 -36.73 84.58 Favored 'General case' 0 C--N 1.298 -1.664 0 CA-C-N 114.404 -1.271 . . . . 0.0 111.461 176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.33 -35.87 76.36 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.502 0.668 . . . . 0.0 111.569 -174.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD21 HD21 ' B' ' 37' ' ' LEU . 82.8 mt -98.3 1.37 47.05 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.244 -178.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.9 m-80 64.74 30.8 12.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.041 1.336 . . . . 0.0 114.278 175.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -101.6 161.92 13.28 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.055 0.455 . . . . 0.0 110.453 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.483 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -124.67 -179.95 4.72 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.785 177.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.1 mm -66.3 140.8 18.93 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-O 120.909 0.385 . . . . 0.0 110.492 175.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.38 25.67 4.37 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 126.757 2.023 . . . . 0.0 110.192 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 6.0 t70 -85.17 134.77 34.15 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -73.12 133.93 44.29 Favored 'General case' 0 C--N 1.283 -2.304 0 C-N-CA 124.479 1.112 . . . . 0.0 110.179 -176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.8 m -133.0 149.09 31.39 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 CA-C-O 121.122 0.487 . . . . 0.0 111.541 -178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -102.86 131.31 49.85 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.193 177.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -117.13 117.3 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.937 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -126.23 140.13 52.79 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD21 HD21 ' B' ' 25' ' ' LEU . 0.6 OUTLIER -94.24 124.73 38.44 Favored 'General case' 1 N--CA 1.379 -4.013 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 -178.052 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -141.06 109.25 2.53 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.484 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.47 -178.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 51.25 61.54 3.18 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.86 0.864 . . . . 0.0 112.243 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.16 -3.01 7.9 Favored Glycine 0 CA--C 1.54 1.645 0 CA-C-N 114.867 -1.06 . . . . 0.0 114.812 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -97.17 141.69 29.99 Favored 'General case' 0 CA--C 1.487 -1.447 0 CA-C-N 117.436 0.618 . . . . 0.0 110.791 -176.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 16.8 mt -90.98 100.45 13.31 Favored 'General case' 0 C--N 1.29 -1.997 0 N-CA-C 104.95 -2.241 . . . . 0.0 104.95 166.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 42.6 mm -83.58 128.94 38.32 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.982 0 CA-C-N 114.181 -1.372 . . . . 0.0 108.498 -176.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.417 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.6 mm -126.92 122.38 60.28 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 O-C-N 123.789 0.68 . . . . 0.0 110.175 -171.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' OE2' ' HD2' ' A' ' 46' ' ' PRO . 9.2 tp10 -130.39 136.12 28.49 Favored Pre-proline 0 C--N 1.293 -1.863 0 N-CA-C 104.507 -2.405 . . . . 0.0 104.507 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.459 ' HD2' ' OE2' ' A' ' 45' ' ' GLU . 8.4 Cg_endo -84.32 155.07 12.51 Favored 'Trans proline' 0 N--CA 1.405 -3.677 0 C-N-CA 121.737 1.624 . . . . 0.0 109.581 -178.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG23 ' HA ' ' A' ' 33' ' ' VAL . 3.8 t -109.69 93.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.245 -3.962 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 -175.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.7 ptt-85 -86.59 136.33 33.1 Favored 'General case' 0 C--N 1.272 -2.765 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.571 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -86.81 96.24 10.13 Favored 'General case' 0 N--CA 1.416 -2.132 0 CA-C-O 122.758 1.266 . . . . 0.0 108.153 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 C--N 1.275 -2.656 0 CA-C-N 111.765 -2.471 . . . . 0.0 107.477 -174.066 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 36.1 t30 . . . . . 0 N--CA 1.471 0.62 0 CA-C-O 120.661 0.267 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -87.77 151.91 22.52 Favored 'General case' 0 C--N 1.316 -0.857 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.065 -177.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 5.7 tmtm? -141.46 85.62 1.97 Allowed 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 105.623 -1.992 . . . . 0.0 105.623 175.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 26.2 m -130.18 6.41 2.24 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.895 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -173.94 173.47 3.22 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 105.142 -2.169 . . . . 0.0 105.142 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 39.2 m80 71.27 114.66 0.05 Allowed 'General case' 0 N--CA 1.469 0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.786 177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -88.87 77.63 7.72 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.913 0.863 . . . . 0.0 110.405 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -99.23 143.19 29.78 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.483 -1.235 . . . . 0.0 109.316 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -137.4 112.33 8.98 Favored 'General case' 0 C--N 1.289 -2.028 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 37.0 p-80 -74.23 160.04 31.68 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.444 -0.946 . . . . 0.0 108.444 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 60.2 mtt 78.81 72.11 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.625 1.202 . . . . 0.0 111.382 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 41.0 m -145.71 -19.48 0.46 Allowed 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 114.111 -1.404 . . . . 0.0 108.154 175.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -84.82 -14.21 48.72 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 127.752 2.421 . . . . 0.0 110.772 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -106.04 4.49 29.34 Favored 'General case' 0 C--N 1.3 -1.546 0 C-N-CA 125.218 1.407 . . . . 0.0 109.637 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -46.19 -47.06 17.81 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.617 1.567 . . . . 0.0 114.81 -172.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -78.57 142.22 37.49 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.749 -0.78 . . . . 0.0 111.469 -173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -140.75 29.55 1.9 Allowed 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.664 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -61.98 -37.01 93.7 Favored Glycine 0 C--O 1.236 0.252 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.508 178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -106.87 97.94 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.641 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 175.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 p-80 -117.93 132.16 56.44 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-O 121.635 0.731 . . . . 0.0 110.296 178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 74.3 m -138.28 -161.11 1.13 Allowed 'General case' 0 C--N 1.279 -2.492 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.386 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 18.6 p -155.59 162.86 40.56 Favored 'General case' 0 N--CA 1.418 -2.037 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.431 HG22 ' CG1' ' B' ' 15' ' ' VAL . 44.3 t -92.66 134.97 28.92 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.603 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 -179.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -121.59 174.36 6.85 Favored 'General case' 0 C--N 1.279 -2.484 0 C-N-CA 119.36 -0.936 . . . . 0.0 109.508 175.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -103.29 106.27 16.75 Favored 'General case' 0 C--N 1.303 -1.422 0 C-N-CA 120.044 -0.663 . . . . 0.0 110.279 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -89.93 93.52 9.45 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.12 -115.22 4.57 Favored Glycine 0 N--CA 1.426 -2.025 0 N-CA-C 109.343 -1.503 . . . . 0.0 109.343 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -114.79 30.5 7.3 Favored 'General case' 0 C--N 1.301 -1.515 0 C-N-CA 121.302 -0.159 . . . . 0.0 111.318 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 62.7 m -144.59 133.35 11.06 Favored Pre-proline 0 N--CA 1.43 -1.467 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.489 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.7 Cg_endo -63.78 130.36 27.59 Favored 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.036 2.491 . . . . 0.0 111.975 177.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' VAL . . . -137.22 142.34 42.06 Favored 'General case' 0 N--CA 1.427 -1.61 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.072 -179.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.445 HG22 HD11 ' A' ' 17' ' ' ILE . 29.2 m -111.6 146.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.222 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -88.1 123.96 33.3 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 123.749 0.656 . . . . 0.0 110.1 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.47 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -94.67 124.03 56.19 Favored Pre-proline 0 C--N 1.304 -1.406 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -59.64 132.15 44.07 Favored 'Trans proline' 0 C--O 1.254 1.279 0 C-N-CA 122.556 2.171 . . . . 0.0 111.653 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.07 -28.83 66.84 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.968 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -59.01 -40.19 84.16 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.169 0.987 . . . . 0.0 110.33 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.51 -32.19 32.5 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.636 -177.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 88.4 mmm -52.97 -48.78 67.17 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 114.834 -1.075 . . . . 0.0 109.468 173.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -68.64 -34.39 75.64 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.576 176.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.84 -29.52 61.08 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.623 0.725 . . . . 0.0 111.901 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.426 HD21 HD21 ' A' ' 37' ' ' LEU . 84.5 mt -102.34 -1.3 31.22 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.231 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 65.52 38.22 5.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.514 1.126 . . . . 0.0 113.196 175.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -109.21 158.31 17.95 Favored 'General case' 0 N--CA 1.41 -2.429 0 CA-C-O 121.217 0.532 . . . . 0.0 110.713 178.238 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.422 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 0.2 OUTLIER -119.11 -177.33 3.31 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.756 178.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.2 mm -71.35 140.76 17.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 t70 71.9 24.65 3.27 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.947 2.099 . . . . 0.0 110.24 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 10.7 t70 -79.96 127.18 31.96 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 106.803 -1.554 . . . . 0.0 106.803 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -68.22 133.5 48.94 Favored 'General case' 0 C--N 1.287 -2.128 0 O-C-N 124.225 0.953 . . . . 0.0 109.766 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.9 m -132.98 145.82 33.57 Favored 'Isoleucine or valine' 0 C--O 1.252 1.226 0 CA-C-O 120.886 0.374 . . . . 0.0 110.602 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -99.98 132.59 45.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.554 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.499 ' O ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -118.05 114.78 46.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.096 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -123.82 141.04 52.4 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.084 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 25' ' ' LEU . 0.7 OUTLIER -93.44 125.85 38.26 Favored 'General case' 0 N--CA 1.385 -3.69 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -178.107 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.8 t -142.57 105.11 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.28 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.434 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 20.6 t70 52.77 62.43 2.69 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.682 1.193 . . . . 0.0 112.213 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.77 2.25 43.78 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-N 114.557 -1.201 . . . . 0.0 114.729 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -104.46 143.52 32.9 Favored 'General case' 0 CA--C 1.489 -1.375 0 CA-C-N 117.471 0.636 . . . . 0.0 110.993 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.417 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 42.9 mt -92.92 99.64 12.25 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 167.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.6 mm -83.48 127.17 39.99 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.055 0 CA-C-N 114.028 -1.442 . . . . 0.0 108.44 -176.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 42.1 mm -125.07 122.49 63.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.241 -172.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.409 ' OE2' ' HD2' ' B' ' 46' ' ' PRO . 8.4 tp10 -130.59 136.88 29.64 Favored Pre-proline 0 C--N 1.286 -2.159 0 N-CA-C 103.937 -2.616 . . . . 0.0 103.937 175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' OE2' ' B' ' 45' ' ' GLU . 1.5 Cg_endo -80.54 170.32 15.98 Favored 'Trans proline' 0 N--CA 1.409 -3.476 0 C-N-CA 121.541 1.494 . . . . 0.0 109.059 -177.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' B' ' 33' ' ' VAL . 4.1 t -123.4 93.34 2.4 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.255 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 13.4 ptt180 -86.19 139.49 31.01 Favored 'General case' 0 C--N 1.276 -2.608 0 N-CA-C 107.559 -1.274 . . . . 0.0 107.559 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' B' ' 49' ' ' LYS . 3.9 mptp? -89.86 95.46 10.24 Favored 'General case' 0 N--CA 1.424 -1.755 0 CA-C-O 122.444 1.116 . . . . 0.0 109.044 -176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 . . . . . 0 C--N 1.279 -2.466 0 CA-C-N 112.787 -2.006 . . . . 0.0 108.132 -173.769 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 CA--C 1.512 -0.515 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -121.21 -26.96 4.98 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.947 0.403 . . . . 0.0 111.559 -176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -90.29 -27.04 19.7 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 121.249 0.547 . . . . 0.0 110.96 -177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 17.8 m -133.85 151.42 32.82 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.242 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 44.0 m80 65.65 18.1 11.1 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.624 0.769 . . . . 0.0 111.917 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -93.37 -38.64 11.36 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 123.82 0.848 . . . . 0.0 109.176 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -100.84 14.47 31.63 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.158 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -84.1 117.4 23.42 Favored 'General case' 0 N--CA 1.426 -1.658 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -77.98 96.9 5.17 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-O 121.145 0.498 . . . . 0.0 109.794 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -76.9 -37.7 54.93 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.573 -177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 91.3 mmm -101.12 101.88 12.71 Favored 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.803 0.811 . . . . 0.0 111.996 -177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 69.0 m -135.36 20.72 3.39 Favored 'General case' 0 C--N 1.292 -1.925 0 N-CA-C 106.359 -1.719 . . . . 0.0 106.359 172.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.12 -33.09 75.19 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-N 113.572 -1.649 . . . . 0.0 112.086 -173.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -98.78 -23.22 15.48 Favored 'General case' 0 C--N 1.291 -1.955 0 CA-C-O 121.833 0.825 . . . . 0.0 109.545 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -79.7 -49.25 12.37 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.72 -174.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -85.19 92.15 8.33 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-O 121.523 0.677 . . . . 0.0 111.542 -177.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -74.41 -28.14 60.94 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.446 175.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -119.51 -165.77 13.14 Favored Glycine 0 N--CA 1.417 -2.615 0 N-CA-C 110.002 -1.239 . . . . 0.0 110.002 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -81.27 125.04 39.45 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.433 ' HB2' ' CG ' ' B' ' 32' ' ' GLU . 1.7 p-80 -81.7 143.86 31.56 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 120.137 -0.625 . . . . 0.0 111.536 177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 76.8 p -138.44 -152.0 0.41 Allowed 'General case' 0 C--N 1.301 -1.502 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.155 -176.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 18.4 p -159.0 134.57 8.62 Favored 'General case' 0 N--CA 1.423 -1.788 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 97.8 t -78.37 105.82 8.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 173.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.77 167.23 9.85 Favored 'General case' 0 C--N 1.278 -2.505 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 -178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -102.74 118.67 37.35 Favored 'General case' 0 C--N 1.296 -1.761 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.702 -174.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -107.14 97.65 7.39 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 106.951 -1.5 . . . . 0.0 106.951 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.76 -129.61 13.66 Favored Glycine 0 N--CA 1.428 -1.851 0 N-CA-C 107.287 -2.325 . . . . 0.0 107.287 -173.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -104.64 27.26 8.14 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 117.355 0.578 . . . . 0.0 110.6 173.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -127.43 121.88 22.59 Favored Pre-proline 0 N--CA 1.425 -1.691 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -61.27 129.7 29.38 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.289 1.992 . . . . 0.0 110.478 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.95 138.96 52.83 Favored 'General case' 0 N--CA 1.423 -1.778 0 CA-C-O 121.073 0.463 . . . . 0.0 111.41 -176.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.38 125.99 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.109 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.121 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -77.48 123.04 26.04 Favored 'General case' 0 C--N 1.31 -1.122 0 O-C-N 123.632 0.582 . . . . 0.0 111.189 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.1 mm -99.55 131.87 24.11 Favored Pre-proline 0 C--N 1.304 -1.388 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -66.16 134.39 36.45 Favored 'Trans proline' 0 C--O 1.249 1.072 0 C-N-CA 121.638 1.558 . . . . 0.0 110.272 175.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.09 -28.69 64.82 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.063 0.545 . . . . 0.0 111.062 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.2 m -62.5 -38.78 91.21 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 123.345 0.658 . . . . 0.0 110.344 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.32 -34.85 61.28 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-O 121.211 0.529 . . . . 0.0 111.093 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.7 mmm -54.69 -49.79 69.84 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.52 -1.218 . . . . 0.0 109.312 174.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.89 -37.98 89.42 Favored 'General case' 0 C--N 1.292 -1.923 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.539 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.6 87.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.464 0.649 . . . . 0.0 112.112 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 60.8 mt -93.85 -16.06 24.45 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.026 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 54.3 t30 67.14 69.65 0.39 Allowed 'General case' 0 C--N 1.316 -0.851 0 C-N-CA 125.241 1.416 . . . . 0.0 111.749 -178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -133.66 159.99 38.85 Favored 'General case' 0 N--CA 1.4 -2.975 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 173.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -133.82 -176.97 4.35 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.9 mm -64.88 144.01 15.21 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 81.77 15.87 0.49 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.296 1.438 . . . . 0.0 112.516 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' O ' ' HA ' ' B' ' 5' ' ' SER . 11.0 t70 -78.44 123.52 27.12 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 106.152 -1.796 . . . . 0.0 106.152 174.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.623 ' OE1' ' HE3' ' A' ' 49' ' ' LYS . 22.9 tt0 -86.7 104.31 15.97 Favored 'General case' 0 C--N 1.278 -2.534 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 -177.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.562 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.4 m -100.73 161.57 3.46 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.175 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.207 -174.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG3' HG21 ' A' ' 47' ' ' VAL . 52.6 mtmt -100.03 127.02 46.3 Favored 'General case' 0 C--N 1.286 -2.19 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.096 177.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.5 mp -95.14 108.01 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 169.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -122.13 131.46 53.97 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.26 125.13 43.22 Favored 'General case' 0 N--CA 1.387 -3.605 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 -175.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.4 t -147.53 134.41 13.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 -177.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.25 21.9 12.32 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 123.992 0.917 . . . . 0.0 112.469 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.29 23.35 77.43 Favored Glycine 0 N--CA 1.435 -1.414 0 C-N-CA 120.405 -0.902 . . . . 0.0 111.894 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 51.8 pttt -129.85 158.76 38.58 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 177.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 14.8 mt -88.45 118.83 28.35 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.88 120.85 47.75 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.951 0 N-CA-C 106.579 -1.638 . . . . 0.0 106.579 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 47.7 mm -120.97 116.64 50.46 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.831 -174.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' A' ' 33' ' ' VAL . 54.5 mt-10 -127.66 148.48 67.0 Favored Pre-proline 0 C--N 1.284 -2.28 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -89.73 154.85 5.12 Favored 'Trans proline' 0 N--CA 1.413 -3.246 0 C-N-CA 122.107 1.871 . . . . 0.0 109.19 -179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.604 ' HB ' ' O ' ' A' ' 32' ' ' GLU . 32.6 t -131.51 131.87 62.65 Favored 'Isoleucine or valine' 1 C--N 1.233 -4.471 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.084 -174.043 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -99.69 126.52 45.74 Favored 'General case' 0 N--CA 1.388 -3.526 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 171.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HE3' ' OE1' ' A' ' 32' ' ' GLU . 75.0 mmtt -99.87 95.88 7.2 Favored 'General case' 0 N--CA 1.404 -2.725 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 174.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 N--CA 1.414 -2.265 0 CA-C-N 113.185 -1.825 . . . . 0.0 106.353 -169.219 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 CA--C 1.501 -0.929 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 13.9 t60 -123.72 -31.56 3.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.132 0.491 . . . . 0.0 110.862 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -88.76 -21.46 23.8 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 121.357 0.599 . . . . 0.0 111.468 -177.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 28.7 m -134.89 155.57 38.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 173.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 39.6 m80 63.32 16.67 9.67 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.79 0.836 . . . . 0.0 112.733 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -92.53 -39.28 11.46 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.496 0.665 . . . . 0.0 109.905 -178.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -99.31 11.68 38.4 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.942 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . 0.412 ' HD1' ' CD2' ' B' ' -7' ' ' HIS . 15.8 t-80 -78.85 124.26 28.04 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 177.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 76.8 m80 -82.65 99.37 9.54 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-O 121.257 0.551 . . . . 0.0 109.749 -179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . 0.412 ' CD2' ' HD1' ' B' ' -9' ' ' HIS . 69.4 m80 -82.47 -29.4 30.6 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-N 115.125 -0.943 . . . . 0.0 110.306 -177.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 94.9 mmm -110.4 100.02 8.93 Favored 'General case' 0 N--CA 1.423 -1.821 0 CA-C-O 122.059 0.933 . . . . 0.0 111.991 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 68.7 m -137.71 24.34 2.87 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 172.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -65.13 -35.74 82.06 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 112.889 -1.959 . . . . 0.0 110.389 -174.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -94.65 -26.36 16.37 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.149 -1.387 . . . . 0.0 110.312 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -77.72 -49.65 14.02 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.955 -1.02 . . . . 0.0 113.067 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -84.91 93.55 8.56 Favored 'General case' 0 C--N 1.31 -1.113 0 C-N-CA 120.051 -0.66 . . . . 0.0 111.364 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -72.03 -32.47 67.17 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -114.73 -157.68 11.81 Favored Glycine 0 N--CA 1.427 -1.918 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.289 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 70.9 mt -87.61 124.43 40.9 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -82.28 136.17 35.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.637 0.732 . . . . 0.0 111.971 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.562 ' OG ' HG22 ' A' ' 33' ' ' VAL . 60.9 p -130.55 -153.24 0.55 Allowed 'General case' 0 C--N 1.295 -1.796 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.225 -175.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 34.6 p -160.44 131.41 5.61 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 97.2 t -74.69 109.12 7.02 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -107.71 166.71 10.49 Favored 'General case' 0 C--N 1.284 -2.267 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -101.03 120.07 39.66 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 120.27 -0.572 . . . . 0.0 111.158 -174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -107.62 97.44 7.17 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.6 -128.98 16.01 Favored Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 107.373 -2.291 . . . . 0.0 107.373 -174.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -100.95 17.16 22.98 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-N 117.945 0.872 . . . . 0.0 112.253 174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.5 m -122.05 127.92 25.75 Favored Pre-proline 0 N--CA 1.424 -1.728 0 O-C-N 122.03 -0.419 . . . . 0.0 110.017 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -62.68 130.29 29.19 Favored 'Trans proline' 0 C--O 1.244 0.783 0 C-N-CA 122.593 2.196 . . . . 0.0 110.462 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -128.36 138.94 52.59 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-O 120.991 0.424 . . . . 0.0 111.396 -176.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 92.5 t -104.16 127.24 58.56 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.072 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -79.13 124.96 28.82 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 123.457 0.473 . . . . 0.0 110.924 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -101.42 129.66 26.43 Favored Pre-proline 0 C--N 1.302 -1.474 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -65.39 134.68 39.69 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.021 1.814 . . . . 0.0 110.112 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -57.93 -30.57 66.04 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 123.187 0.595 . . . . 0.0 111.065 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 88.9 m -62.25 -34.95 77.5 Favored 'General case' 0 CA--C 1.559 1.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.157 176.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.59 -35.03 53.3 Favored 'General case' 0 CA--C 1.484 -1.577 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.83 -48.93 69.44 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.728 174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 76.5 mt-30 -63.97 -38.86 92.61 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 114.189 -1.369 . . . . 0.0 111.097 175.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.15 76.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.222 0.534 . . . . 0.0 112.305 -172.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.422 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 74.1 mt -99.9 -5.42 28.39 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.347 -177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 53.5 t30 60.91 64.57 1.12 Allowed 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.019 1.328 . . . . 0.0 112.713 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -128.98 167.15 17.87 Favored 'General case' 0 N--CA 1.403 -2.776 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -139.01 -175.9 4.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 178.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mm -69.44 144.81 13.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 82.07 13.32 0.56 Allowed 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 125.121 1.368 . . . . 0.0 112.948 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.487 ' O ' ' HA ' ' A' ' 5' ' ' SER . 13.3 t70 -79.17 128.22 33.02 Favored 'General case' 0 N--CA 1.433 -1.295 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 176.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.701 ' OE1' ' HE3' ' B' ' 49' ' ' LYS . 21.5 tt0 -87.05 106.15 17.65 Favored 'General case' 0 C--N 1.285 -2.239 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -175.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.514 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.3 m -103.2 160.01 4.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.049 -0.66 . . . . 0.0 109.579 -175.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.467 ' HG3' HG21 ' B' ' 47' ' ' VAL . 50.8 mtmt -98.88 129.43 45.24 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 123.313 0.383 . . . . 0.0 110.11 177.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.35 104.01 15.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 106.507 -1.664 . . . . 0.0 106.507 169.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.443 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 29.2 t70 -121.73 129.08 52.45 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.6 126.7 41.96 Favored 'General case' 0 N--CA 1.39 -3.438 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 -175.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.462 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 50.3 t -146.7 134.73 15.3 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.213 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -178.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.48 22.06 7.64 Favored 'General case' 0 N--CA 1.497 1.884 0 C-N-CA 124.011 0.925 . . . . 0.0 113.265 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.17 21.54 77.86 Favored Glycine 0 N--CA 1.437 -1.278 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.772 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 47.5 pttt -130.18 158.74 38.87 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 176.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.447 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 42.7 mt -86.24 118.16 25.51 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.443 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 39.7 mm -98.12 119.84 46.67 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.986 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 48.3 mm -120.32 115.17 46.37 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.92 -174.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -124.94 148.81 61.11 Favored Pre-proline 0 C--N 1.283 -2.29 0 N-CA-C 105.708 -1.96 . . . . 0.0 105.708 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -89.39 155.86 5.45 Favored 'Trans proline' 0 N--CA 1.41 -3.396 0 C-N-CA 121.887 1.725 . . . . 0.0 109.114 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.584 ' HB ' ' O ' ' B' ' 32' ' ' GLU . 21.2 t -132.5 125.21 53.02 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.831 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.274 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -93.22 129.91 39.09 Favored 'General case' 0 N--CA 1.396 -3.132 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 172.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.701 ' HE3' ' OE1' ' B' ' 32' ' ' GLU . 75.1 mmtt -104.15 96.17 6.47 Favored 'General case' 0 C--N 1.271 -2.832 0 N-CA-C 103.629 -2.73 . . . . 0.0 103.629 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.288 -2.1 0 CA-C-N 114.591 -1.186 . . . . 0.0 107.862 -168.546 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 12.1 m120 . . . . . 0 CA--C 1.5 -0.972 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 -75.34 -54.18 7.5 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 121.021 0.439 . . . . 0.0 109.995 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -111.38 159.72 17.74 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 45.3 t -86.12 82.93 2.05 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . 0.279 4.3 p80 -81.43 65.14 6.45 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 122.693 1.235 . . . . 0.0 112.928 -176.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -100.29 -23.68 14.73 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 112.876 -1.966 . . . . 0.0 107.081 173.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -105.59 146.82 29.15 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 114.669 -1.151 . . . . 0.0 109.436 -177.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 11.0 p-80 -126.5 154.25 44.03 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 123.617 0.573 . . . . 0.0 109.745 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -106.99 137.53 44.88 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 -178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -97.3 148.99 22.57 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -150.92 -45.61 0.12 Allowed 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.762 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 13.3 m -72.25 -33.92 67.87 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-O 121.148 0.499 . . . . 0.0 110.755 -175.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -59.6 -32.04 70.02 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.031 -177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.07 -27.0 48.48 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.274 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -85.33 -31.32 23.07 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 119.382 -0.927 . . . . 0.0 112.18 -175.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -82.39 104.21 12.52 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 118.981 -1.087 . . . . 0.0 109.409 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 35.6 mttp -98.87 -43.93 6.55 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.347 -173.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 53.09 69.68 1.14 Allowed Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.656 -0.702 . . . . 0.0 114.253 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.6 mt -80.44 119.76 30.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -90.48 135.21 33.83 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-O 121.273 0.558 . . . . 0.0 110.764 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 47.3 m -149.14 -166.64 2.61 Favored 'General case' 0 C--N 1.279 -2.459 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.585 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 8.2 p -145.14 158.19 43.89 Favored 'General case' 0 N--CA 1.417 -2.093 0 CA-C-O 121.169 0.509 . . . . 0.0 110.829 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 54.0 t -93.58 117.18 36.52 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.585 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 57.6 mttm -117.49 172.05 7.59 Favored 'General case' 0 C--N 1.268 -2.948 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.112 -174.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -98.87 118.66 36.13 Favored 'General case' 0 C--N 1.3 -1.55 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.552 -171.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -112.55 94.09 4.75 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.93 -128.56 11.08 Favored Glycine 0 N--CA 1.431 -1.688 0 N-CA-C 108.159 -1.976 . . . . 0.0 108.159 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -100.83 29.48 4.53 Favored 'General case' 0 C--N 1.289 -2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 174.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.6 t -132.97 120.69 16.48 Favored Pre-proline 0 N--CA 1.414 -2.253 0 O-C-N 121.142 -0.973 . . . . 0.0 110.959 -173.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_endo -66.1 121.89 9.3 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.916 1.744 . . . . 0.0 110.216 172.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.62 145.1 51.82 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.35 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.7 p -113.02 143.6 22.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -81.24 129.33 34.55 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.594 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -107.9 130.65 22.51 Favored Pre-proline 0 C--N 1.311 -1.085 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -63.25 136.05 53.62 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.847 1.698 . . . . 0.0 111.242 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 23' ' ' GLN . . . -62.63 -27.41 69.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.098 0.475 . . . . 0.0 110.183 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.3 m -58.58 -39.43 80.31 Favored 'General case' 0 N--CA 1.433 -1.283 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.408 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.46 -34.79 54.34 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-O 121.03 0.443 . . . . 0.0 110.633 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.413 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 84.4 mmm -53.63 -49.97 66.73 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.38 173.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 19' ' ' ALA . 83.6 mm-40 -69.49 -32.88 72.03 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.508 176.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.13 -33.37 75.63 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.414 0.626 . . . . 0.0 111.913 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.33 -2.86 23.42 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 121.594 0.711 . . . . 0.0 110.525 179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.9 t30 55.59 63.73 1.97 Allowed 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 126.107 1.763 . . . . 0.0 113.305 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.97 158.85 26.83 Favored 'General case' 0 N--CA 1.405 -2.685 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 172.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -124.73 179.04 5.15 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-O 120.754 0.311 . . . . 0.0 110.587 -177.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.3 mm -69.38 135.78 27.61 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.032 177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 71.47 27.3 3.08 Favored 'General case' 0 CA--C 1.503 -0.843 0 C-N-CA 125.84 1.656 . . . . 0.0 111.441 -178.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -94.44 149.81 20.88 Favored 'General case' 0 N--CA 1.422 -1.858 0 N-CA-C 105.729 -1.952 . . . . 0.0 105.729 174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' B' ' 4' ' ' SER . 33.1 tt0 -90.64 137.59 32.24 Favored 'General case' 0 C--N 1.275 -2.642 0 O-C-N 123.717 0.635 . . . . 0.0 111.799 -170.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.5 m -135.5 158.33 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.604 0 CA-C-O 121.102 0.477 . . . . 0.0 111.699 -178.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HG3' HG22 ' A' ' 47' ' ' VAL . 52.9 mtmt -98.93 131.2 45.18 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 114.715 -1.13 . . . . 0.0 109.497 174.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.48 129.58 71.53 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.693 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 173.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -138.71 154.68 48.59 Favored 'General case' 0 C--N 1.284 -2.28 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -103.22 120.12 40.14 Favored 'General case' 1 N--CA 1.372 -4.355 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 175.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -143.41 124.55 10.74 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.627 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -175.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 37.1 t70 61.23 24.04 14.19 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.372 1.082 . . . . 0.0 111.47 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.84 19.29 58.17 Favored Glycine 0 N--CA 1.447 -0.62 0 CA-C-N 115.53 -0.759 . . . . 0.0 113.976 176.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 159.05 43.02 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 117.444 0.622 . . . . 0.0 109.428 175.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.3 mt -91.14 120.84 32.42 Favored 'General case' 0 N--CA 1.425 -1.722 0 CA-C-O 122.238 1.018 . . . . 0.0 109.113 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 45.9 mm -99.29 117.08 43.9 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.361 0 CA-C-N 113.491 -1.686 . . . . 0.0 108.173 -177.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.7 mm -108.86 104.9 17.81 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.071 0 CA-C-N 114.964 -1.016 . . . . 0.0 108.971 -178.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 31.0 tt0 -124.04 118.48 26.8 Favored Pre-proline 0 C--N 1.291 -1.94 0 N-CA-C 109.017 -0.735 . . . . 0.0 109.017 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 7.6 Cg_endo -57.83 151.84 53.87 Favored 'Trans proline' 0 N--CA 1.431 -2.184 0 C-N-CA 124.017 3.144 . . . . 0.0 111.583 177.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.561 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.7 t -93.46 111.63 25.17 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.933 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 -178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 17.7 ptp180 -84.65 125.84 32.84 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-O 122.577 1.18 . . . . 0.0 112.208 -176.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.2 152.64 47.53 Favored 'General case' 0 N--CA 1.387 -3.625 0 C-N-CA 126.346 1.859 . . . . 0.0 106.625 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 . . . . . 0 C--N 1.29 -1.981 0 O-C-N 124.817 1.323 . . . . 0.0 108.904 -177.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 CA--C 1.498 -1.041 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -73.18 -50.31 23.27 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.232 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -118.72 155.37 31.19 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 176.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 41.0 t -83.63 79.76 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . 0.266 6.3 p80 -79.5 64.12 4.29 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 122.59 1.186 . . . . 0.0 113.321 -176.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -99.15 -22.53 15.62 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-N 113.377 -1.738 . . . . 0.0 107.261 174.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 63.0 m-70 -106.42 140.8 38.77 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.786 -1.097 . . . . 0.0 108.775 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -120.21 162.68 18.96 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 61.1 m-70 -112.31 139.96 47.42 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.312 -178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 65.4 m-70 -103.23 136.85 42.25 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 110.067 -0.345 . . . . 0.0 110.067 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -138.98 -46.59 0.48 Allowed 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 13.3 m -71.34 -26.64 62.91 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 120.972 0.415 . . . . 0.0 111.369 -176.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -59.37 -36.27 75.45 Favored 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 123.912 0.885 . . . . 0.0 110.912 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -77.06 -32.14 56.64 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 114.315 -1.312 . . . . 0.0 112.701 -173.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . 0.412 ' O ' ' HG3' ' B' ' 0' ' ' LYS . 20.9 t0 -84.83 -33.16 22.95 Favored 'General case' 0 C--O 1.207 -1.133 0 C-N-CA 119.651 -0.82 . . . . 0.0 112.55 -171.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -80.89 97.71 7.53 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 119.324 -0.95 . . . . 0.0 108.582 173.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' B' ' -2' ' ' ASP . 36.7 mttp -93.39 -42.57 9.21 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.304 -171.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 52.5 73.2 0.42 Allowed Glycine 0 CA--C 1.523 0.59 0 O-C-N 124.187 0.929 . . . . 0.0 114.638 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.6 mt -83.27 123.4 38.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -96.25 122.62 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.655 0.74 . . . . 0.0 111.865 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 60.1 m -134.22 -164.65 1.53 Allowed 'General case' 0 C--N 1.281 -2.41 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.851 178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.607 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 5.7 p -143.39 167.06 23.07 Favored 'General case' 0 N--CA 1.414 -2.234 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -104.61 113.37 41.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.607 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 61.4 mttm -112.49 171.0 7.78 Favored 'General case' 0 C--N 1.264 -3.134 0 C-N-CA 120.184 -0.606 . . . . 0.0 111.458 -173.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -95.15 118.78 32.53 Favored 'General case' 0 C--N 1.299 -1.617 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.151 -173.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -113.18 94.22 4.78 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.043 -1.466 . . . . 0.0 107.043 175.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.77 -127.24 10.27 Favored Glycine 0 N--CA 1.428 -1.885 0 N-CA-C 108.568 -1.813 . . . . 0.0 108.568 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -97.47 14.38 26.6 Favored 'General case' 0 C--N 1.284 -2.241 0 CA-C-O 121.772 0.796 . . . . 0.0 110.116 174.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -121.33 125.97 26.71 Favored Pre-proline 0 N--CA 1.405 -2.704 0 O-C-N 120.815 -1.178 . . . . 0.0 109.893 -171.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -66.57 127.07 16.52 Favored 'Trans proline' 0 N--CA 1.449 -1.1 0 C-N-CA 121.891 1.727 . . . . 0.0 109.67 171.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.84 145.87 48.72 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 12.9 p -114.85 140.63 35.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -78.99 128.41 33.23 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 123.653 0.596 . . . . 0.0 112.018 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.75 132.06 21.21 Favored Pre-proline 0 C--N 1.307 -1.277 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -64.77 136.96 51.64 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 121.848 1.699 . . . . 0.0 110.998 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.407 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -63.77 -26.82 68.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -60.53 -37.13 80.21 Favored 'General case' 0 CA--C 1.553 1.087 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.264 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -78.43 -33.99 48.17 Favored 'General case' 0 CA--C 1.482 -1.644 0 CA-C-O 121.12 0.486 . . . . 0.0 110.529 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.7 mmm -54.09 -50.96 65.64 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.413 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -68.63 -33.02 73.29 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.134 176.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.99 -28.11 69.28 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -175.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 7.3 mt -114.16 6.34 16.26 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-O 121.989 0.899 . . . . 0.0 110.058 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 66.9 t30 47.57 62.37 2.48 Favored 'General case' 0 C--O 1.25 1.111 0 C-N-CA 126.902 2.081 . . . . 0.0 113.799 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -117.97 156.19 28.94 Favored 'General case' 0 N--CA 1.392 -3.345 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 172.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -125.84 -179.43 4.67 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 -177.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.52 138.96 21.42 Favored 'Isoleucine or valine' 0 C--O 1.249 1.04 0 CA-C-O 120.875 0.369 . . . . 0.0 110.224 177.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 71.07 25.73 3.63 Favored 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 126.287 1.835 . . . . 0.0 111.687 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.416 ' CG ' ' HZ1' ' B' ' 49' ' ' LYS . 5.5 t0 -92.76 144.38 25.35 Favored 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 177.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.3 tt0 -87.27 135.31 33.36 Favored 'General case' 0 C--N 1.281 -2.407 0 O-C-N 123.646 0.591 . . . . 0.0 111.428 -171.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.527 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -135.16 155.57 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.201 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -96.3 131.66 42.58 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.755 174.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -114.31 127.44 71.76 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 173.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -137.57 150.53 47.54 Favored 'General case' 0 C--N 1.289 -2.027 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.29 119.07 36.32 Favored 'General case' 1 N--CA 1.375 -4.22 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 175.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -143.06 128.69 16.41 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.733 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.471 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.3 t70 58.77 22.67 10.33 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 122.261 1.029 . . . . 0.0 112.016 174.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.81 15.43 61.39 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.579 -0.82 . . . . 0.0 113.452 176.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.53 161.91 35.88 Favored 'General case' 0 CA--C 1.502 -0.885 0 O-C-N 122.526 -0.396 . . . . 0.0 109.966 177.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 71.1 mt -92.92 119.4 32.18 Favored 'General case' 0 CA--C 1.48 -1.736 0 CA-C-O 122.145 0.974 . . . . 0.0 109.302 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.0 mm -98.06 119.13 45.67 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.45 0 CA-C-N 113.874 -1.512 . . . . 0.0 108.551 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 41.6 mm -109.33 106.26 20.37 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.909 -178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.413 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 33.1 tt0 -125.34 115.08 25.6 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 -179.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 7.9 Cg_endo -57.66 150.95 58.25 Favored 'Trans proline' 0 N--CA 1.433 -2.081 0 C-N-CA 123.764 2.976 . . . . 0.0 111.739 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' B' ' 33' ' ' VAL . 22.8 t -91.84 113.35 27.08 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.049 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 17.0 ptp180 -87.26 126.05 34.59 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-O 122.25 1.024 . . . . 0.0 111.839 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.416 ' HZ1' ' CG ' ' B' ' 31' ' ' ASP . 0.0 OUTLIER -139.28 157.17 46.37 Favored 'General case' 0 N--CA 1.388 -3.546 0 C-N-CA 126.593 1.957 . . . . 0.0 106.713 177.28 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 C--N 1.294 -1.825 0 O-C-N 124.81 1.319 . . . . 0.0 110.719 -179.019 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 8.2 t30 . . . . . 0 CA--C 1.509 -0.601 0 CA-C-O 120.946 0.403 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -142.18 127.22 18.43 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 175.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -80.17 -35.61 36.22 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 29.8 m -125.77 140.35 48.73 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.947 177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -110.91 133.49 53.33 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-O 121.193 0.521 . . . . 0.0 110.54 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -114.94 11.44 16.57 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 177.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -96.57 90.93 5.52 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -176.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -120.38 -30.76 4.51 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.755 -176.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 69.1 100.34 0.06 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.785 0.834 . . . . 0.0 111.015 -176.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -84.39 -38.02 20.78 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.388 0.613 . . . . 0.0 109.718 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 26.2 ttt -123.55 141.63 51.82 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.733 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . 0.467 ' HB3' ' OD1' ' A' ' -2' ' ' ASP . 14.9 m -79.55 95.5 5.87 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 175.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -72.08 -51.98 18.97 Favored 'General case' 0 CA--C 1.49 -1.359 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -174.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -77.32 -25.12 50.9 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.078 -173.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.467 ' OD1' ' HB3' ' A' ' -5' ' ' SER . 8.0 m-20 -62.04 -29.91 70.61 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.687 -177.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -99.74 126.11 45.75 Favored 'General case' 0 C--N 1.312 -1.027 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -123.33 25.72 8.23 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -176.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 65.09 66.62 2.37 Favored Glycine 0 C--N 1.319 -0.392 0 C-N-CA 121.267 -0.492 . . . . 0.0 113.496 175.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 71.3 mt -80.77 128.31 38.79 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -137.94 122.56 18.58 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 122.141 0.972 . . . . 0.0 110.886 -179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 60.8 m -132.34 -160.13 1.02 Allowed 'General case' 0 C--N 1.278 -2.532 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.264 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.563 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 12.7 p -150.57 155.34 39.24 Favored 'General case' 0 N--CA 1.428 -1.552 0 CA-C-N 118.042 0.383 . . . . 0.0 110.551 -178.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.3 t -82.52 122.59 37.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.316 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.563 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -111.3 166.91 10.7 Favored 'General case' 0 C--N 1.287 -2.152 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 -178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -100.62 119.88 39.21 Favored 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.179 -0.609 . . . . 0.0 111.578 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.5 t90 -105.54 93.05 4.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.62 -112.72 3.61 Favored Glycine 0 N--CA 1.431 -1.696 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -108.54 16.82 22.66 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -135.37 138.31 28.48 Favored Pre-proline 0 N--CA 1.417 -2.076 0 O-C-N 120.744 -1.223 . . . . 0.0 111.144 -171.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -66.8 125.59 13.98 Favored 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 123.316 2.678 . . . . 0.0 111.482 176.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.64 142.26 45.16 Favored 'General case' 0 N--CA 1.432 -1.373 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.196 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 91.2 t -111.01 139.4 35.03 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -80.69 126.09 30.85 Favored 'General case' 0 C--N 1.315 -0.935 0 O-C-N 123.665 0.603 . . . . 0.0 109.801 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -97.81 129.81 30.41 Favored Pre-proline 0 C--N 1.311 -1.104 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 132.93 43.8 Favored 'Trans proline' 0 C--O 1.258 1.496 0 C-N-CA 122.734 2.29 . . . . 0.0 111.669 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.497 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.41 -29.51 66.14 Favored 'General case' 0 C--O 1.213 -0.863 0 C-N-CA 123.38 0.672 . . . . 0.0 111.006 -178.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 m -54.26 -40.43 67.78 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 123.561 0.744 . . . . 0.0 111.428 178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.475 ' HG ' HD21 ' B' ' 42' ' ' LEU . 3.8 mm? -78.89 -35.14 44.08 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.239 0.542 . . . . 0.0 110.819 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 83.2 mmm -52.26 -45.79 65.53 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.427 -1.261 . . . . 0.0 109.075 173.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 46.8 mt-30 -80.83 -19.25 45.05 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-N 114.112 -1.404 . . . . 0.0 112.581 179.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -76.85 -40.16 48.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 122.046 0.927 . . . . 0.0 109.484 -175.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -94.5 -19.16 20.78 Favored 'General case' 0 C--N 1.285 -2.211 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.272 -178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 70.08 69.59 0.22 Allowed 'General case' 0 C--N 1.302 -1.478 0 CA-C-N 113.593 -1.64 . . . . 0.0 112.034 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD22 ' HB3' ' A' ' 46' ' ' PRO . 0.6 OUTLIER -126.69 174.1 8.99 Favored 'General case' 0 N--CA 1.408 -2.57 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -142.54 -169.9 3.08 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.96 140.29 19.11 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 CA-C-O 121.183 0.516 . . . . 0.0 112.146 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.6 t70 74.04 20.51 2.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.69 1.996 . . . . 0.0 110.154 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -90.29 134.25 34.43 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -70.27 139.73 52.2 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.3 -176.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.437 ' HA ' HG23 ' A' ' 47' ' ' VAL . 2.4 m -133.56 151.09 32.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 CA-C-O 121.198 0.523 . . . . 0.0 110.789 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HG3' HG22 ' A' ' 47' ' ' VAL . 8.9 mtmp? -95.09 133.85 38.44 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.903 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.443 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.2 mp -110.4 103.42 15.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.653 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 28.1 m-20 -97.43 124.92 41.79 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 -178.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -99.32 131.26 45.47 Favored 'General case' 0 N--CA 1.38 -3.969 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 -172.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -145.02 110.09 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.155 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.873 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 64.19 22.17 12.77 Favored 'General case' 0 N--CA 1.504 2.265 0 C-N-CA 123.42 0.688 . . . . 0.0 112.462 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.8 -0.51 89.15 Favored Glycine 0 C--N 1.3 -1.45 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.145 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.3 ttmm -87.73 133.37 33.86 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.536 HD21 ' HG ' ' B' ' 21' ' ' LEU . 23.1 mt -91.47 114.98 27.65 Favored 'General case' 0 C--N 1.294 -1.811 0 CA-C-O 121.881 0.848 . . . . 0.0 111.813 -176.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.653 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.7 mp -99.65 121.19 50.03 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 114.846 -1.07 . . . . 0.0 109.171 176.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.6 mm -107.5 114.54 46.53 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.032 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.178 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 41.8 tt0 -136.36 110.83 9.81 Favored Pre-proline 0 C--N 1.304 -1.399 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.509 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 6.2 Cg_endo -48.32 157.71 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 123.771 2.981 . . . . 0.0 113.306 171.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.6 t -106.25 103.31 15.23 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.969 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 177.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -76.21 135.52 39.71 Favored 'General case' 0 C--N 1.276 -2.617 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.49 -173.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -88.53 101.27 13.77 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 114.801 -1.09 . . . . 0.0 108.728 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--N 1.26 -3.304 0 CA-C-N 113.24 -1.8 . . . . 0.0 107.165 179.735 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 9.0 t30 . . . . . 0 CA--C 1.506 -0.733 0 CA-C-O 121.213 0.53 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . 0.405 ' HB2' ' NE2' ' B' ' -12' ' ' HIS . 63.3 m-70 -146.79 129.34 15.98 Favored 'General case' 0 C--N 1.293 -1.851 0 N-CA-C 106.821 -1.548 . . . . 0.0 106.821 176.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -82.92 -30.02 28.73 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 30.0 m -131.09 147.7 33.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.978 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.699 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . 0.405 ' NE2' ' HB2' ' B' ' -15' ' ' HIS . 58.6 m80 -118.94 130.79 55.9 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 120.966 0.413 . . . . 0.0 110.134 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -110.11 4.03 20.77 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -88.83 95.29 10.23 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.837 -1.074 . . . . 0.0 108.565 -176.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -123.84 -32.89 3.23 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.867 -176.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 62.2 m-70 70.25 98.8 0.06 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 125.245 1.418 . . . . 0.0 111.012 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 45.2 t60 -79.52 -39.46 31.93 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.912 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 28.3 ttt -122.44 141.85 51.18 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.27 -177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 17.9 m -79.37 97.23 6.26 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -76.35 -42.45 44.74 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -172.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -87.49 -22.55 24.83 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.016 -173.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.94 -38.31 78.72 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 121.08 0.467 . . . . 0.0 111.242 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -93.95 125.11 38.39 Favored 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 174.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -119.48 29.7 7.48 Favored 'General case' 0 C--N 1.311 -1.067 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 62.78 75.77 0.31 Allowed Glycine 0 CA--C 1.509 -0.3 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.85 176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.82 128.69 40.82 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -133.15 138.08 46.48 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.436 0.636 . . . . 0.0 109.997 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.5 m -146.36 -159.28 1.0 Allowed 'General case' 0 C--N 1.285 -2.219 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -178.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.593 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.1 p -150.86 153.73 35.89 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 118.322 0.51 . . . . 0.0 110.903 -178.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.4 t -81.46 123.46 37.88 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.593 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.7 mmtt -112.55 167.83 10.15 Favored 'General case' 0 C--N 1.289 -2.038 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -102.73 116.56 32.83 Favored 'General case' 0 C--N 1.305 -1.337 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.81 -176.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -103.52 94.14 5.32 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 107.146 -1.427 . . . . 0.0 107.146 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.44 -115.15 4.11 Favored Glycine 0 N--CA 1.423 -2.172 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -112.02 22.63 14.63 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 121.199 -0.2 . . . . 0.0 111.163 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 48.2 m -139.04 139.3 22.97 Favored Pre-proline 0 N--CA 1.417 -2.105 0 O-C-N 120.984 -1.072 . . . . 0.0 110.475 -175.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -66.77 126.9 16.08 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 123.382 2.722 . . . . 0.0 111.665 176.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -134.71 140.66 46.14 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.23 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 93.8 t -110.17 138.34 38.42 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.672 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 177.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -80.93 125.94 30.76 Favored 'General case' 0 C--N 1.313 -1.012 0 O-C-N 123.584 0.553 . . . . 0.0 110.026 178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mp -95.22 132.05 28.7 Favored Pre-proline 0 C--N 1.305 -1.329 0 CA-C-N 116.629 -0.259 . . . . 0.0 110.36 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.45 129.23 27.34 Favored 'Trans proline' 0 C--O 1.256 1.388 0 C-N-CA 122.668 2.245 . . . . 0.0 111.39 177.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' B' ' 22' ' ' MET . . . -59.58 -25.28 64.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.24 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 18.1 m -58.25 -37.68 75.39 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.952 177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.536 ' HG ' HD21 ' A' ' 42' ' ' LEU . 3.8 mm? -80.59 -35.56 34.01 Favored 'General case' 0 CA--C 1.483 -1.601 0 CA-C-O 120.998 0.428 . . . . 0.0 110.529 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.414 ' HB2' ' O ' ' B' ' 19' ' ' ALA . 85.4 mmm -51.63 -47.12 63.8 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 114.538 -1.21 . . . . 0.0 108.975 173.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -76.75 -24.49 52.98 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.981 177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.74 -38.9 62.14 Favored 'General case' 0 CA--C 1.492 -1.276 0 CA-C-O 122.052 0.93 . . . . 0.0 110.006 -171.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -91.59 -25.17 19.32 Favored 'General case' 0 C--N 1.284 -2.27 0 CA-C-N 114.403 -1.271 . . . . 0.0 109.377 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 76.53 69.86 0.07 Allowed 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 113.478 -1.692 . . . . 0.0 112.18 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.6 178.22 5.54 Favored 'General case' 0 N--CA 1.402 -2.836 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.617 174.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -142.85 -172.12 3.59 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 123.246 0.618 . . . . 0.0 109.465 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 28.4 mm -72.13 138.75 20.93 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.904 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 t70 74.58 25.88 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 126.197 1.799 . . . . 0.0 109.674 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.428 ' CG ' ' HZ3' ' B' ' 49' ' ' LYS . 16.3 t70 -94.91 135.2 36.71 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.308 -1.367 . . . . 0.0 107.308 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -71.48 138.04 48.67 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 124.267 1.027 . . . . 0.0 111.613 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' B' ' 47' ' ' VAL . 1.5 m -133.87 149.0 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-O 120.983 0.421 . . . . 0.0 109.905 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.425 ' HG3' HG22 ' B' ' 47' ' ' VAL . 9.4 mtmp? -93.44 135.24 34.87 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.32 178.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.0 mp -109.42 105.19 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.221 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 173.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.616 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 12.7 m-20 -97.89 128.8 44.72 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -102.29 131.77 48.66 Favored 'General case' 0 N--CA 1.383 -3.818 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -172.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.3 t -145.91 110.6 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.903 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 62.87 21.47 12.85 Favored 'General case' 0 N--CA 1.51 2.554 0 C-N-CA 124.578 1.151 . . . . 0.0 112.859 176.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.36 -0.47 85.47 Favored Glycine 0 C--N 1.305 -1.157 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.59 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -87.72 132.63 34.06 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 106.259 -1.756 . . . . 0.0 106.259 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.475 HD21 ' HG ' ' A' ' 21' ' ' LEU . 54.7 mt -90.57 113.08 25.01 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 121.854 0.835 . . . . 0.0 112.266 -176.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.616 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.7 mp -98.01 120.56 47.5 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.717 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.371 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.9 mm -107.9 116.31 51.02 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.811 0 CA-C-N 114.087 -1.415 . . . . 0.0 109.16 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.48 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.2 tt0 -139.51 110.67 7.53 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.675 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.48 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.7 Cg_endo -47.75 156.97 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 124.117 3.212 . . . . 0.0 113.6 172.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' B' ' 33' ' ' VAL . 21.8 t -107.87 94.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.795 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 178.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 89.8 mtm180 -66.93 140.28 57.75 Favored 'General case' 0 C--N 1.278 -2.504 0 CA-C-N 114.697 -1.138 . . . . 0.0 113.223 -174.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' B' ' 31' ' ' ASP . 12.8 mptt -91.56 101.82 14.47 Favored 'General case' 0 CA--C 1.486 -1.498 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.523 179.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--N 1.27 -2.876 0 CA-C-N 113.675 -1.602 . . . . 0.0 108.663 -178.249 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 8.7 p30 . . . . . 0 CA--C 1.512 -0.485 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -104.88 171.26 7.42 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 110.634 -0.136 . . . . 0.0 110.634 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 68.22 31.17 5.36 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 124.112 0.965 . . . . 0.0 111.01 177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 16.4 m -67.34 94.14 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-O 122.081 0.943 . . . . 0.0 112.238 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -91.11 -28.64 17.78 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.791 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -99.03 93.13 5.83 Favored 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 40.9 p-80 -150.04 145.89 26.65 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -100.57 47.69 0.92 Allowed 'General case' 0 C--N 1.303 -1.416 0 CA-C-O 122.083 0.944 . . . . 0.0 110.616 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 33.6 m170 72.75 -54.09 0.69 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.157 1.783 . . . . 0.0 112.668 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 44.7 m80 -140.98 154.36 46.0 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 4.1 mpp? -81.56 66.37 7.08 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 33.5 t -76.17 102.43 5.77 Favored 'General case' 0 N--CA 1.412 -2.351 0 CA-C-N 114.734 -1.121 . . . . 0.0 109.85 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 0' ' ' LYS . 30.5 t70 -67.8 -31.63 71.63 Favored 'General case' 0 C--O 1.205 -1.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.856 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.2 -45.57 92.69 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.373 -177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -74.11 -36.26 64.2 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 122.42 1.105 . . . . 0.0 110.526 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -93.52 23.51 4.57 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 114.293 -1.321 . . . . 0.0 109.896 -174.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' -4' ' ' ASP . 33.3 tttp -92.47 -41.72 10.13 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.35 -0.844 . . . . 0.0 111.576 -172.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 67.37 -112.66 4.97 Favored Glycine 0 N--CA 1.426 -2.028 0 N-CA-C 110.26 -1.136 . . . . 0.0 110.26 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.0 mt -103.42 124.97 57.97 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.533 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -103.57 100.72 10.58 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 122.408 1.099 . . . . 0.0 110.37 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 m -112.6 -165.12 0.96 Allowed 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.676 -1.147 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -148.03 157.2 43.39 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 -176.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.5 t -86.32 126.9 40.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -114.96 168.89 9.51 Favored 'General case' 0 C--N 1.288 -2.07 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -103.75 118.44 36.71 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-O 121.128 0.49 . . . . 0.0 111.412 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -104.69 96.32 6.5 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 106.922 -1.51 . . . . 0.0 106.922 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.1 -122.38 6.16 Favored Glycine 0 N--CA 1.428 -1.843 0 N-CA-C 107.603 -2.199 . . . . 0.0 107.603 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -109.29 26.25 10.85 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.826 173.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -132.83 134.78 24.97 Favored Pre-proline 0 N--CA 1.427 -1.623 0 O-C-N 121.65 -0.656 . . . . 0.0 110.385 -176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -65.43 126.68 16.65 Favored 'Trans proline' 0 C--N 1.318 -1.067 0 C-N-CA 123.137 2.558 . . . . 0.0 111.787 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.04 144.66 50.18 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.7 p -121.35 139.35 48.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.779 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 177.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -80.57 126.94 31.87 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.872 -177.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -87.7 127.58 57.68 Favored Pre-proline 0 C--N 1.315 -0.9 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -58.89 132.82 49.82 Favored 'Trans proline' 0 C--O 1.252 1.179 0 C-N-CA 121.799 1.666 . . . . 0.0 111.11 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.18 -27.92 68.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.382 0.61 . . . . 0.0 109.664 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.3 m -59.2 -39.72 83.5 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.021 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.12 -37.69 33.08 Favored 'General case' 0 CA--C 1.483 -1.618 0 CA-C-O 120.796 0.332 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -48.85 -49.48 39.17 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.083 174.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -80.92 -18.79 45.94 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 114.834 -1.076 . . . . 0.0 113.056 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.35 -34.51 65.65 Favored 'General case' 0 CA--C 1.508 -0.648 0 CA-C-O 121.881 0.848 . . . . 0.0 109.638 -174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' HG ' ' HG2' ' A' ' 46' ' ' PRO . 2.4 mm? -96.52 -27.08 15.03 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.208 -1.36 . . . . 0.0 108.872 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 70.53 68.88 0.2 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.749 1.619 . . . . 0.0 109.674 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.24 167.09 11.84 Favored 'General case' 0 N--CA 1.415 -2.2 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.0 m-80 -129.37 -172.85 2.85 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.6 mm -75.97 143.6 12.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 72.07 28.3 2.53 Favored 'General case' 0 CA--C 1.491 -1.321 0 C-N-CA 124.423 1.089 . . . . 0.0 110.812 -176.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -98.52 132.15 44.18 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.48 139.23 57.02 Favored 'General case' 0 C--N 1.288 -2.102 0 C-N-CA 124.377 1.071 . . . . 0.0 110.67 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.503 ' HA ' HG23 ' A' ' 47' ' ' VAL . 5.1 m -131.83 149.6 32.97 Favored 'Isoleucine or valine' 0 C--O 1.249 1.028 0 CA-C-O 120.764 0.316 . . . . 0.0 110.405 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -94.42 126.91 39.99 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.737 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.94 106.55 18.73 Favored 'Isoleucine or valine' 0 C--O 1.252 1.204 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 174.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -126.61 138.3 53.43 Favored 'General case' 0 C--N 1.311 -1.082 0 C-N-CA 120.222 -0.591 . . . . 0.0 109.62 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.13 126.86 35.34 Favored 'General case' 0 N--CA 1.398 -3.064 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.7 t -145.73 123.87 4.83 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.527 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.749 -178.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 60.37 20.74 10.32 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 124.8 1.24 . . . . 0.0 111.76 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.7 -2.17 79.73 Favored Glycine 0 N--CA 1.436 -1.302 0 C-N-CA 120.858 -0.687 . . . . 0.0 113.625 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 156.86 19.88 Favored 'General case' 0 C--O 1.247 0.963 0 CA-C-N 117.899 0.849 . . . . 0.0 109.274 177.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.1 mt -90.99 117.6 29.71 Favored 'General case' 0 N--CA 1.421 -1.899 0 CA-C-O 122.121 0.962 . . . . 0.0 109.051 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -87.53 100.86 10.71 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.037 0 CA-C-N 113.233 -1.803 . . . . 0.0 106.911 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.477 HD12 HD12 ' B' ' 44' ' ' ILE . 60.4 mt -111.56 104.76 17.57 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.316 0 CA-C-N 113.739 -1.573 . . . . 0.0 110.104 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 39.4 tt0 -120.5 108.43 37.61 Favored Pre-proline 0 C--N 1.282 -2.346 0 CA-C-N 114.322 -1.308 . . . . 0.0 107.735 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 11.4 Cg_endo -54.69 150.58 35.44 Favored 'Trans proline' 0 N--CA 1.442 -1.507 0 C-N-CA 121.968 1.779 . . . . 0.0 110.235 169.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.503 HG23 ' HA ' ' A' ' 33' ' ' VAL . 10.6 t -100.31 107.29 20.73 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.549 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.213 -173.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -74.59 147.29 41.81 Favored 'General case' 0 C--N 1.284 -2.251 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.433 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -103.24 96.89 7.07 Favored 'General case' 0 C--N 1.284 -2.265 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 C--N 1.286 -2.153 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 -179.677 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 8.2 p30 . . . . . 0 CA--C 1.508 -0.656 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -109.56 175.22 5.53 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 -178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt 65.48 34.34 8.06 Favored 'General case' 0 N--CA 1.47 0.526 0 O-C-N 124.112 0.882 . . . . 0.0 110.018 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 17.6 m -73.25 93.4 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 CA-C-O 121.949 0.88 . . . . 0.0 111.635 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 13.5 p-80 -90.4 -25.83 20.19 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.285 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -101.48 96.63 7.26 Favored 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -153.22 143.47 22.38 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -95.7 46.0 1.09 Allowed 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.75 0.786 . . . . 0.0 111.06 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 35.3 m170 72.82 -59.42 0.57 Allowed 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.824 1.649 . . . . 0.0 112.189 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 51.0 m80 -134.01 156.06 48.87 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -81.91 63.52 6.19 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 121.572 0.701 . . . . 0.0 109.873 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 45.5 t -72.12 107.18 4.66 Favored 'General case' 0 N--CA 1.42 -1.94 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.971 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' B' ' 0' ' ' LYS . 13.3 t70 -71.88 -34.29 69.06 Favored 'General case' 0 C--O 1.202 -1.444 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.52 175.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -55.56 -44.65 77.02 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.494 -177.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -79.56 -26.35 41.42 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.259 0.552 . . . . 0.0 111.382 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -103.88 19.42 20.01 Favored 'General case' 0 C--N 1.298 -1.672 0 CA-C-O 122.41 1.1 . . . . 0.0 110.171 -174.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' B' ' -4' ' ' ASP . 36.6 tttp -88.12 -41.46 13.01 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.278 -0.889 . . . . 0.0 111.312 -172.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 69.14 -109.5 2.92 Favored Glycine 0 N--CA 1.425 -2.058 0 N-CA-C 110.834 -0.907 . . . . 0.0 110.834 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.43 120.81 59.4 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.563 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -97.27 104.37 16.38 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 122.434 1.111 . . . . 0.0 110.548 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 75.4 m -114.06 -164.78 0.95 Allowed 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 114.923 -1.035 . . . . 0.0 108.894 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -150.48 156.71 41.97 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.9 t -85.53 124.85 40.4 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 176.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -110.88 172.0 7.13 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -108.06 115.35 29.97 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.814 -0.554 . . . . 0.0 111.126 -176.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -102.11 94.83 5.96 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 179.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.09 -119.84 5.3 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 108.524 -1.83 . . . . 0.0 108.524 -175.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -111.46 28.06 9.09 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 121.129 -0.229 . . . . 0.0 110.4 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 36.3 m -136.73 136.14 21.23 Favored Pre-proline 0 N--CA 1.417 -2.098 0 O-C-N 121.626 -0.672 . . . . 0.0 110.292 -178.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -65.83 126.43 15.95 Favored 'Trans proline' 0 C--N 1.317 -1.1 0 C-N-CA 123.067 2.511 . . . . 0.0 111.513 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -132.43 143.83 50.07 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.734 -178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.6 p -121.87 138.15 53.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -81.74 123.25 28.59 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.622 -177.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 46.6 mm -84.06 128.25 63.46 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -59.31 133.85 55.13 Favored 'Trans proline' 0 C--O 1.251 1.126 0 C-N-CA 121.872 1.715 . . . . 0.0 111.392 178.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.64 -27.85 68.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.393 0.616 . . . . 0.0 109.613 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 8.4 m -59.78 -38.91 83.2 Favored 'General case' 0 N--CA 1.432 -1.367 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.395 176.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.77 -37.92 26.44 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.044 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.1 mmm -49.42 -49.33 45.45 Favored 'General case' 0 C--N 1.309 -1.195 0 O-C-N 124.372 1.045 . . . . 0.0 109.821 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -82.09 -18.2 43.86 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.854 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.03 73.72 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 122.083 0.944 . . . . 0.0 109.117 -176.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.412 ' HB2' HD23 ' B' ' 27' ' ' LEU . 2.2 mm? -95.12 -25.46 16.42 Favored 'General case' 0 C--N 1.285 -2.222 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.061 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 67.93 70.54 0.33 Allowed 'General case' 0 C--N 1.312 -1.039 0 C-N-CA 125.547 1.539 . . . . 0.0 109.544 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.412 HD23 ' HB2' ' B' ' 25' ' ' LEU . 0.7 OUTLIER -118.87 169.02 10.22 Favored 'General case' 0 N--CA 1.411 -2.415 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 176.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -130.51 -175.68 3.73 Favored 'General case' 0 C--N 1.292 -1.913 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mm -71.35 145.83 12.19 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.45 27.65 3.03 Favored 'General case' 0 CA--C 1.49 -1.347 0 C-N-CA 124.232 1.013 . . . . 0.0 111.267 -177.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -100.27 136.39 40.23 Favored 'General case' 0 N--CA 1.423 -1.794 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -70.73 138.72 50.78 Favored 'General case' 0 C--N 1.288 -2.097 0 C-N-CA 124.17 0.988 . . . . 0.0 110.896 -176.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.464 ' HA ' HG23 ' B' ' 47' ' ' VAL . 4.6 m -131.23 149.05 32.9 Favored 'Isoleucine or valine' 0 C--O 1.247 0.932 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -92.86 128.73 38.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.541 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.2 mp -121.76 105.96 17.31 Favored 'Isoleucine or valine' 0 C--O 1.249 1.047 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -127.6 136.75 52.09 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -86.99 128.28 35.08 Favored 'General case' 0 N--CA 1.397 -3.084 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -146.41 123.47 3.74 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.442 0 CA-C-N 114.842 -1.072 . . . . 0.0 108.906 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 57.02 29.4 16.38 Favored 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.947 0.899 . . . . 0.0 112.156 177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.42 -3.77 86.74 Favored Glycine 0 N--CA 1.441 -1.022 0 C-N-CA 121.121 -0.561 . . . . 0.0 114.205 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.12 154.61 25.19 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 117.917 0.858 . . . . 0.0 109.378 178.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 69.5 mt -87.79 116.76 26.16 Favored 'General case' 0 N--CA 1.419 -1.998 0 CA-C-O 121.856 0.836 . . . . 0.0 108.929 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mm -86.23 100.98 9.95 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.067 0 CA-C-N 113.608 -1.633 . . . . 0.0 106.853 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 44' ' ' ILE . 62.9 mt -111.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 113.44 -1.709 . . . . 0.0 109.942 -178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.442 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 36.4 tt0 -125.64 109.42 25.77 Favored Pre-proline 0 C--N 1.275 -2.67 0 CA-C-N 114.435 -1.257 . . . . 0.0 107.659 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.442 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 10.5 Cg_endo -53.52 150.52 27.13 Favored 'Trans proline' 0 N--CA 1.442 -1.557 0 C-N-CA 122.186 1.924 . . . . 0.0 110.65 170.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.464 HG23 ' HA ' ' B' ' 33' ' ' VAL . 12.5 t -100.25 106.23 18.89 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.362 0 CA-C-N 115.432 -0.803 . . . . 0.0 108.876 -174.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 mtp180 -75.28 147.93 39.82 Favored 'General case' 0 C--N 1.285 -2.22 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.407 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -105.28 97.15 7.03 Favored 'General case' 0 C--N 1.288 -2.074 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 177.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--N 1.283 -2.323 0 CA-C-N 114.314 -1.312 . . . . 0.0 107.996 -177.505 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -120.45 146.54 46.14 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -88.5 76.26 8.25 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 12.0 p -65.62 126.61 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.982 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.945 -178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 28.1 m170 63.21 14.0 7.38 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 124.826 1.251 . . . . 0.0 111.117 178.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 61.78 18.99 10.2 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.869 0.868 . . . . 0.0 110.473 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -98.89 70.67 1.85 Allowed 'General case' 0 N--CA 1.425 -1.677 0 CA-C-O 122.114 0.959 . . . . 0.0 108.452 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -97.99 -5.96 33.01 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.634 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -148.57 153.29 38.17 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -124.51 130.8 53.12 Favored 'General case' 0 C--N 1.291 -1.976 0 O-C-N 123.251 0.344 . . . . 0.0 110.247 -177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 20.8 ptp -51.99 107.13 0.18 Allowed 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.243 0.964 . . . . 0.0 109.169 172.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 12.1 m -90.01 41.74 1.06 Allowed 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.911 -170.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -49.75 -36.03 24.34 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 125.515 1.526 . . . . 0.0 113.053 -174.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -65.21 -38.92 91.95 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.578 -175.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -95.77 -64.05 1.09 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.575 0.702 . . . . 0.0 109.238 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -87.11 101.11 13.17 Favored 'General case' 0 CA--C 1.487 -1.452 0 N-CA-C 105.82 -1.919 . . . . 0.0 105.82 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -69.81 -42.23 73.97 Favored 'General case' 0 C--N 1.295 -1.784 0 CA-C-N 114.54 -1.209 . . . . 0.0 110.7 -168.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.471 ' O ' ' HD2' ' A' ' 3' ' ' HIS . . . 50.69 57.22 11.07 Favored Glycine 0 N--CA 1.438 -1.177 0 O-C-N 124.565 1.166 . . . . 0.0 113.191 177.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.4 mt -76.95 109.28 11.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 175.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.471 ' HD2' ' O ' ' A' ' 1' ' ' GLY . 12.7 m-70 -90.81 119.54 31.11 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 121.297 0.57 . . . . 0.0 111.871 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.455 ' OG ' HG22 ' B' ' 33' ' ' VAL . 97.0 p -110.18 -143.66 0.39 Allowed 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 175.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' B' ' 32' ' ' GLU . 26.2 t -160.91 137.94 8.93 Favored 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 176.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 15' ' ' VAL . 88.0 t -80.16 115.73 23.11 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 174.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -110.85 176.34 5.07 Favored 'General case' 0 N--CA 1.413 -2.281 0 N-CA-C 107.664 -1.235 . . . . 0.0 107.664 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -109.94 115.62 30.12 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.786 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -105.56 96.08 6.26 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.86 -122.47 5.86 Favored Glycine 0 N--CA 1.431 -1.643 0 N-CA-C 107.173 -2.371 . . . . 0.0 107.173 -172.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -110.72 26.99 10.1 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 117.395 0.597 . . . . 0.0 110.136 172.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 m -129.24 131.84 23.92 Favored Pre-proline 0 N--CA 1.417 -2.092 0 O-C-N 121.787 -0.571 . . . . 0.0 109.876 -174.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.519 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.8 Cg_endo -64.79 122.05 9.77 Favored 'Trans proline' 0 C--N 1.317 -1.109 0 C-N-CA 122.499 2.133 . . . . 0.0 110.908 175.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -127.42 132.82 50.03 Favored 'General case' 0 N--CA 1.415 -2.201 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.814 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 6' ' ' VAL . 88.4 t -104.19 137.75 31.71 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 178.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.3 mtm105 -78.75 116.46 19.11 Favored 'General case' 0 N--CA 1.422 -1.836 0 O-C-N 123.768 0.667 . . . . 0.0 109.551 175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.2 mp -95.89 139.95 22.07 Favored Pre-proline 0 C--N 1.305 -1.369 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -69.09 121.63 8.47 Favored 'Trans proline' 0 C--O 1.255 1.357 0 C-N-CA 121.345 1.364 . . . . 0.0 110.117 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.44 -24.3 67.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.25 -177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.7 m -55.09 -28.48 52.76 Favored 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.597 1.159 . . . . 0.0 111.986 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.22 -33.04 26.2 Favored 'General case' 0 CA--C 1.49 -1.346 0 CA-C-O 121.505 0.669 . . . . 0.0 111.019 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 77.3 mtp -61.93 -45.65 92.75 Favored 'General case' 0 C--N 1.292 -1.935 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -68.94 -24.45 64.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.051 -1.431 . . . . 0.0 112.208 176.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.39 -36.92 85.42 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.507 177.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.2 mt -91.1 -20.72 21.72 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.179 177.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 75.08 70.0 0.09 Allowed 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 124.807 1.243 . . . . 0.0 111.019 -173.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 HD21 ' HB2' ' A' ' 46' ' ' PRO . 4.4 pp -134.7 175.2 9.77 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.56 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.444 HD22 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -136.44 167.81 20.64 Favored 'General case' 0 CA--C 1.493 -1.223 0 C-N-CA 122.672 0.389 . . . . 0.0 110.198 -178.063 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.4 mm -48.88 148.51 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.256 1.431 0 O-C-N 124.864 1.353 . . . . 0.0 111.139 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 t70 87.31 10.94 0.14 Allowed 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.471 1.509 . . . . 0.0 109.969 177.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.473 ' HA ' ' HG3' ' A' ' 49' ' ' LYS . 8.1 p-10 -79.6 -174.4 4.27 Favored 'General case' 0 C--O 1.25 1.123 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 178.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HA ' ' HA ' ' B' ' 5' ' ' SER . 9.2 pt-20 -131.34 159.47 37.84 Favored 'General case' 0 C--N 1.286 -2.167 0 C-N-CA 119.415 -0.914 . . . . 0.0 110.022 -175.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.578 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.6 m -133.89 145.12 33.83 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.929 0 C-N-CA 118.895 -1.122 . . . . 0.0 110.082 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -93.57 104.93 17.02 Favored 'General case' 0 C--N 1.285 -2.198 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.571 176.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.1 mp -87.3 121.2 37.68 Favored 'Isoleucine or valine' 0 C--O 1.248 0.99 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -132.37 141.25 48.83 Favored 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 107.0 -1.482 . . . . 0.0 107.0 173.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -98.65 130.76 45.17 Favored 'General case' 0 N--CA 1.383 -3.79 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.57 107.17 2.24 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.816 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.708 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 29.4 t70 48.99 62.49 2.57 Favored 'General case' 0 C--N 1.317 -0.807 0 C-N-CA 124.48 1.112 . . . . 0.0 113.346 176.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.93 -12.02 9.86 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.358 0.903 . . . . 0.0 115.358 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.549 ' HD3' ' O ' ' A' ' 39' ' ' ASP . 0.0 OUTLIER -115.48 150.19 36.9 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-N 118.61 1.205 . . . . 0.0 110.915 179.049 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.5 mt -97.41 126.69 42.82 Favored 'General case' 0 N--CA 1.42 -1.958 0 CA-C-O 121.792 0.806 . . . . 0.0 109.114 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.2 mm -91.82 110.62 22.89 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.229 0 N-CA-C 106.405 -1.702 . . . . 0.0 106.405 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.4 mm -111.77 104.1 16.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.875 0 CA-C-N 114.856 -1.065 . . . . 0.0 109.313 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 34.4 tt0 -118.39 101.47 51.06 Favored Pre-proline 0 C--N 1.298 -1.653 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 -178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.51 ' HB2' HD21 ' A' ' 27' ' ' LEU . 18.3 Cg_endo -55.7 142.73 82.2 Favored 'Trans proline' 0 C--O 1.247 0.974 0 C-N-CA 123.088 2.525 . . . . 0.0 112.676 172.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.08 115.59 5.6 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.452 0 CA-C-N 113.238 -1.801 . . . . 0.0 111.193 -176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -74.39 154.12 38.95 Favored 'General case' 0 N--CA 1.428 -1.527 0 CA-C-O 122.242 1.02 . . . . 0.0 112.47 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.473 ' HG3' ' HA ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -134.18 140.15 46.33 Favored 'General case' 1 N--CA 1.378 -4.059 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 176.648 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 . . . . . 0 C--N 1.283 -2.302 0 O-C-N 125.174 1.546 . . . . 0.0 107.887 -165.085 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 N--CA 1.474 0.745 0 CA-C-O 120.743 0.306 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -115.68 150.04 37.4 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -87.12 85.3 7.21 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 11.0 p -75.64 124.39 33.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.365 -175.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 28.7 m170 65.53 11.91 7.79 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.684 1.194 . . . . 0.0 110.634 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 66.83 11.25 8.16 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.6 1.16 . . . . 0.0 110.491 -172.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -91.9 73.45 5.67 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-O 121.934 0.873 . . . . 0.0 108.956 -176.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -102.98 0.25 31.9 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 122.41 1.1 . . . . 0.0 108.283 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -150.27 154.58 38.16 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 178.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -127.08 134.65 50.22 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 22.0 ptp -58.85 107.48 0.53 Allowed 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 124.456 1.097 . . . . 0.0 109.163 175.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 17.0 m -87.42 48.87 1.71 Allowed 'General case' 0 C--N 1.297 -1.705 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.605 -171.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -57.84 -30.22 65.6 Favored 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.24 1.416 . . . . 0.0 112.354 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.15 -42.56 68.98 Favored 'General case' 0 C--N 1.298 -1.673 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.122 -176.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -94.46 -58.19 2.27 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.17 0.509 . . . . 0.0 110.005 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.45 100.47 13.23 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 105.747 -1.946 . . . . 0.0 105.747 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -66.44 -42.73 87.21 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.55 -168.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 49.53 60.55 6.26 Favored Glycine 0 N--CA 1.435 -1.399 0 O-C-N 124.416 1.073 . . . . 0.0 112.989 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 76.8 mt -79.86 110.13 15.17 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 106.11 -1.811 . . . . 0.0 106.11 174.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.551 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 11.8 m170 -90.12 118.19 29.46 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-O 121.102 0.477 . . . . 0.0 111.602 -176.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.578 ' OG ' HG22 ' A' ' 33' ' ' VAL . 93.7 p -107.7 -148.95 0.43 Allowed 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 174.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 31.4 t -156.48 138.24 14.24 Favored 'General case' 0 N--CA 1.419 -2.006 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.425 HG22 HG22 ' B' ' 15' ' ' VAL . 92.3 t -80.24 114.7 21.51 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 175.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 22.1 mmmt -110.58 169.74 8.55 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 -178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -101.97 118.84 37.75 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.158 0.504 . . . . 0.0 111.017 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 15.8 t90 -109.49 97.78 7.28 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 106.752 -1.573 . . . . 0.0 106.752 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.55 -119.54 5.53 Favored Glycine 0 N--CA 1.434 -1.475 0 N-CA-C 108.173 -1.971 . . . . 0.0 108.173 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -111.18 25.27 11.92 Favored 'General case' 0 C--N 1.288 -2.081 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.935 172.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 11.5 m -129.14 134.71 26.61 Favored Pre-proline 0 N--CA 1.412 -2.342 0 O-C-N 121.641 -0.662 . . . . 0.0 109.818 -175.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 15.1 Cg_endo -66.42 121.27 8.51 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.635 2.224 . . . . 0.0 109.869 172.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -126.81 132.14 51.08 Favored 'General case' 0 N--CA 1.412 -2.36 0 CA-C-O 121.259 0.552 . . . . 0.0 109.755 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.425 HG22 HG22 ' B' ' 6' ' ' VAL . 91.5 t -102.58 137.92 28.8 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 47.1 mtm180 -79.35 113.26 17.35 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 123.625 0.578 . . . . 0.0 109.742 175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.2 mp -93.6 137.6 23.25 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -67.61 121.87 9.0 Favored 'Trans proline' 0 C--O 1.254 1.277 0 C-N-CA 121.415 1.41 . . . . 0.0 110.078 172.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.07 -24.0 67.54 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 111.484 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 13.4 m -54.43 -27.75 39.25 Favored 'General case' 0 CA--C 1.575 1.923 0 C-N-CA 124.891 1.277 . . . . 0.0 111.919 177.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.6 -33.15 23.41 Favored 'General case' 0 CA--C 1.491 -1.293 0 CA-C-O 121.481 0.658 . . . . 0.0 111.17 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.409 ' O ' ' HG ' ' B' ' 27' ' ' LEU . 78.3 mtp -61.57 -44.46 96.99 Favored 'General case' 0 C--N 1.292 -1.899 0 N-CA-C 107.029 -1.471 . . . . 0.0 107.029 172.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -68.9 -26.4 65.08 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 113.794 -1.548 . . . . 0.0 111.979 176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.43 -31.12 71.67 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.296 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 8.6 mt -96.48 -15.68 21.57 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.966 -0.693 . . . . 0.0 109.332 174.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 71.31 68.87 0.17 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 124.411 1.084 . . . . 0.0 112.112 -173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' B' ' 46' ' ' PRO . 4.5 pp -134.95 174.97 10.0 Favored 'General case' 0 N--CA 1.409 -2.486 0 CA-C-N 114.698 -1.137 . . . . 0.0 108.821 174.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -136.71 171.43 14.51 Favored 'General case' 0 CA--C 1.497 -1.065 0 CA-C-O 119.319 -0.372 . . . . 0.0 110.042 -177.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 24.9 mm -52.14 148.21 1.52 Allowed 'Isoleucine or valine' 0 C--O 1.253 1.246 0 O-C-N 124.734 1.271 . . . . 0.0 111.422 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . 0.447 ' O ' ' HD2' ' B' ' 49' ' ' LYS . 25.4 t70 88.77 10.72 0.09 Allowed 'General case' 0 CA--C 1.511 -0.525 0 C-N-CA 125.865 1.666 . . . . 0.0 110.262 177.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.446 ' HA ' ' HG3' ' B' ' 49' ' ' LYS . 8.5 p-10 -79.8 -174.82 4.57 Favored 'General case' 0 C--O 1.25 1.093 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 178.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' SER . 9.2 pt-20 -130.08 158.71 38.89 Favored 'General case' 0 C--N 1.285 -2.219 0 C-N-CA 119.918 -0.713 . . . . 0.0 109.109 -174.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.455 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.4 m -134.71 143.35 37.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 C-N-CA 119.04 -1.064 . . . . 0.0 109.716 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -92.24 103.46 15.92 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 124.001 0.813 . . . . 0.0 110.344 177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.39 118.69 32.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -130.53 139.78 50.49 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 107.215 -1.402 . . . . 0.0 107.215 174.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -96.79 130.38 44.06 Favored 'General case' 0 N--CA 1.388 -3.547 0 N-CA-C 107.346 -1.354 . . . . 0.0 107.346 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 89.8 t -140.13 106.77 2.41 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.677 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.007 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.561 ' O ' ' HD3' ' B' ' 41' ' ' LYS . 31.3 t70 48.89 62.77 2.42 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 124.238 1.015 . . . . 0.0 113.358 176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.0 -15.12 8.87 Favored Glycine 0 C--N 1.306 -1.137 0 N-CA-C 115.423 0.929 . . . . 0.0 115.423 176.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.561 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 0.0 OUTLIER -114.87 151.52 33.8 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-N 118.29 1.045 . . . . 0.0 111.375 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.3 mt -96.57 126.06 41.48 Favored 'General case' 0 N--CA 1.416 -2.145 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.188 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 40.3 mm -91.31 110.91 23.08 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.366 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.1 mm -112.24 104.12 16.54 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.858 0 CA-C-N 114.759 -1.109 . . . . 0.0 109.25 -175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -119.22 104.66 45.67 Favored Pre-proline 0 C--N 1.289 -2.031 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.721 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.522 ' HB2' HD21 ' B' ' 27' ' ' LEU . 18.4 Cg_endo -55.74 144.54 75.84 Favored 'Trans proline' 0 C--O 1.252 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.679 171.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -141.69 115.59 4.85 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.474 0 CA-C-N 113.443 -1.708 . . . . 0.0 111.472 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -74.46 153.78 39.01 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-O 121.953 0.882 . . . . 0.0 112.476 -175.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.447 ' HD2' ' O ' ' B' ' 30' ' ' ASP . 0.0 OUTLIER -135.0 137.86 43.43 Favored 'General case' 1 N--CA 1.379 -4.022 0 N-CA-C 104.678 -2.342 . . . . 0.0 104.678 175.239 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--N 1.284 -2.272 0 O-C-N 124.954 1.409 . . . . 0.0 108.445 -164.387 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 49.5 m-20 . . . . . 0 CA--C 1.494 -1.193 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -136.78 178.7 6.87 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -84.21 104.09 13.96 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 173.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 8.6 p -82.73 -31.72 9.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 60.53 102.6 0.02 OUTLIER 'General case' 0 C--O 1.245 0.855 0 C-N-CA 125.246 1.418 . . . . 0.0 112.825 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -130.57 162.3 29.62 Favored 'General case' 0 C--N 1.282 -2.348 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 174.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' B' ' 50' ' ' GLU . 19.7 m80 -89.49 154.0 20.36 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 74.5 m80 60.32 76.74 0.35 Allowed 'General case' 0 C--O 1.244 0.804 0 O-C-N 124.183 0.927 . . . . 0.0 112.192 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 30.9 p-80 -71.65 124.06 23.9 Favored 'General case' 0 N--CA 1.445 -0.705 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -128.63 132.43 48.13 Favored 'General case' 0 C--N 1.281 -2.411 0 CA-C-O 121.161 0.505 . . . . 0.0 110.953 -172.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 83.3 mtp -95.15 -4.13 46.62 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.036 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . 0.429 ' HB3' ' HB2' ' A' ' -2' ' ' ASP . 21.9 m -79.3 73.63 5.92 Favored 'General case' 0 N--CA 1.435 -1.22 0 CA-C-N 114.911 -1.04 . . . . 0.0 110.367 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -84.91 -38.54 19.26 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.987 0.899 . . . . 0.0 109.467 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -104.54 -37.06 7.29 Favored 'General case' 0 C--N 1.288 -2.089 0 CA-C-N 114.11 -1.405 . . . . 0.0 110.82 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' -5' ' ' SER . 5.6 m-20 -55.26 -44.59 75.72 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 124.925 1.29 . . . . 0.0 110.845 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -123.29 -170.5 2.13 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 -175.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt 55.41 33.66 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.253 1.021 . . . . 0.0 112.74 176.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -42.56 -67.71 0.86 Allowed Glycine 0 N--CA 1.476 1.349 0 O-C-N 124.307 1.004 . . . . 0.0 113.56 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 61.2 mt -132.8 117.91 31.91 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 173.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -95.1 101.35 13.09 Favored 'General case' 0 C--N 1.306 -1.284 0 CA-C-O 122.303 1.049 . . . . 0.0 110.001 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.4 m -106.01 -164.01 0.98 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 113.955 -1.475 . . . . 0.0 110.461 -176.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -157.76 171.99 19.31 Favored 'General case' 0 N--CA 1.423 -1.813 0 CA-C-O 120.81 0.338 . . . . 0.0 110.268 -177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 74.6 t -115.93 118.14 57.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 107.452 -1.314 . . . . 0.0 107.452 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -113.75 173.41 6.44 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 119.82 -0.752 . . . . 0.0 109.637 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -102.94 116.56 32.78 Favored 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.317 -0.553 . . . . 0.0 111.552 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -109.12 98.38 7.84 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.98 -129.07 12.44 Favored Glycine 0 N--CA 1.424 -2.103 0 N-CA-C 108.756 -1.737 . . . . 0.0 108.756 -174.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -95.99 13.68 26.18 Favored 'General case' 0 C--N 1.293 -1.865 0 CA-C-N 117.45 0.625 . . . . 0.0 110.548 175.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.3 m -123.43 127.46 25.56 Favored Pre-proline 0 N--CA 1.404 -2.76 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.591 -170.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -61.61 125.25 16.29 Favored 'Trans proline' 0 N--CA 1.44 -1.66 0 C-N-CA 122.0 1.8 . . . . 0.0 109.181 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.483 ' HA ' ' O ' ' B' ' 15' ' ' VAL . . . -123.47 139.72 53.73 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-O 120.931 0.396 . . . . 0.0 110.802 -176.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.461 ' O ' ' HA ' ' B' ' 14' ' ' ALA . 92.4 t -104.63 130.05 56.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 178.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -83.05 107.66 15.79 Favored 'General case' 0 N--CA 1.436 -1.133 0 O-C-N 123.63 0.582 . . . . 0.0 110.53 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.5 mm -87.96 126.82 59.94 Favored Pre-proline 0 C--N 1.306 -1.292 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -62.96 132.56 37.45 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 121.601 1.534 . . . . 0.0 110.499 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.96 -28.09 68.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.758 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.8 m -57.93 -39.93 79.21 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 124.083 0.953 . . . . 0.0 110.414 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.98 -33.85 44.7 Favored 'General case' 0 CA--C 1.481 -1.693 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.919 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.0 mmm -55.32 -46.55 76.31 Favored 'General case' 0 C--N 1.293 -1.858 0 CA-C-N 114.714 -1.13 . . . . 0.0 109.677 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -68.21 -36.6 79.78 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 114.617 -1.174 . . . . 0.0 110.99 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -31.78 69.21 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.16 0.505 . . . . 0.0 112.204 -174.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 81.0 mt -99.32 -8.36 25.0 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.273 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.4 t30 59.93 66.94 0.92 Allowed 'General case' 0 C--N 1.319 -0.748 0 C-N-CA 125.88 1.672 . . . . 0.0 113.531 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -130.24 171.53 12.79 Favored 'General case' 0 N--CA 1.406 -2.65 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.285 172.744 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -137.78 -175.24 4.02 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.4 mm -71.69 139.46 19.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-O 121.306 0.574 . . . . 0.0 110.11 178.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 64.09 50.38 2.47 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 126.367 1.867 . . . . 0.0 109.556 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -110.32 132.83 53.83 Favored 'General case' 0 C--N 1.275 -2.633 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 170.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' B' ' 4' ' ' SER . 31.4 tt0 -83.37 132.89 34.97 Favored 'General case' 0 N--CA 1.414 -2.261 0 O-C-N 123.56 0.537 . . . . 0.0 110.0 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.537 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.0 m -129.78 157.11 42.44 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.162 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 38.1 mtmt -93.27 139.15 30.95 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.202 -0.599 . . . . 0.0 110.636 176.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 11.4 mm -115.57 99.33 8.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 105.342 -2.095 . . . . 0.0 105.342 171.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -104.54 136.6 43.8 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -94.4 125.95 39.36 Favored 'General case' 0 N--CA 1.388 -3.557 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 45.1 t -148.06 132.3 9.49 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.204 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 57.3 25.03 10.67 Favored 'General case' 0 N--CA 1.499 2.001 0 C-N-CA 123.814 0.846 . . . . 0.0 112.792 176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.56 17.68 79.7 Favored Glycine 0 N--CA 1.439 -1.152 0 C-N-CA 120.898 -0.668 . . . . 0.0 113.173 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.46 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 12.8 ptpt -129.76 166.25 20.26 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 117.889 0.844 . . . . 0.0 109.412 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 mt -93.94 116.79 29.27 Favored 'General case' 0 CA--C 1.48 -1.72 0 CA-C-O 121.941 0.877 . . . . 0.0 109.269 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.5 mm -102.9 119.97 52.06 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.315 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.965 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.65 122.49 69.58 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.479 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.978 -177.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -130.61 149.91 74.87 Favored Pre-proline 0 C--N 1.287 -2.121 0 N-CA-C 104.269 -2.493 . . . . 0.0 104.269 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -83.13 170.02 12.46 Favored 'Trans proline' 0 N--CA 1.409 -3.472 0 N-CA-C 109.155 -1.133 . . . . 0.0 109.155 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.537 HG23 ' HA ' ' A' ' 33' ' ' VAL . 25.4 t -107.05 116.84 51.66 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.89 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -73.03 126.2 29.42 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.696 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -90.57 96.18 10.52 Favored 'General case' 0 N--CA 1.416 -2.126 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--N 1.28 -2.43 0 N-CA-C 106.441 -1.689 . . . . 0.0 106.441 179.608 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.495 -1.169 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -148.81 177.31 9.64 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -85.19 97.83 10.13 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 10.8 p -77.08 -31.18 18.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 60.61 101.14 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.263 0 C-N-CA 125.812 1.645 . . . . 0.0 112.58 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -130.17 162.44 28.87 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 174.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -90.18 151.57 21.5 Favored 'General case' 0 C--N 1.279 -2.482 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 64.8 m80 64.51 79.87 0.24 Allowed 'General case' 0 C--N 1.309 -1.17 0 O-C-N 124.616 1.198 . . . . 0.0 112.284 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -75.31 119.04 18.87 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 175.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 38.9 p-80 -125.54 134.87 51.83 Favored 'General case' 0 C--N 1.28 -2.454 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.697 -173.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 81.9 mtp -101.99 6.28 41.12 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 115.267 -0.879 . . . . 0.0 108.937 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 12.1 m -84.74 49.04 1.63 Allowed 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.144 -176.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -62.27 -42.93 99.77 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 112.855 0.687 . . . . 0.0 112.855 -177.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -107.05 -29.39 9.43 Favored 'General case' 0 C--N 1.288 -2.087 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.828 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.36 -49.94 75.87 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.895 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -120.12 -169.86 1.86 Allowed 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -174.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt 55.47 35.19 24.56 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 123.674 0.79 . . . . 0.0 112.11 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -46.59 -66.5 1.73 Allowed Glycine 0 N--CA 1.471 0.97 0 O-C-N 124.479 1.112 . . . . 0.0 112.895 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.495 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 61.8 mt -132.42 110.86 16.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 173.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -86.73 113.08 22.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.864 0.84 . . . . 0.0 108.759 177.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 32' ' ' GLU . 57.6 m -118.98 -166.17 1.22 Allowed 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 114.302 -1.317 . . . . 0.0 109.642 -175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.5 p -156.98 170.87 21.54 Favored 'General case' 0 N--CA 1.417 -2.083 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 90.6 t -115.28 122.95 70.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -118.26 175.11 5.85 Favored 'General case' 0 C--N 1.274 -2.676 0 C-N-CA 120.155 -0.618 . . . . 0.0 109.838 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -103.81 118.57 37.01 Favored 'General case' 0 C--N 1.306 -1.287 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.923 -175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.1 t90 -113.2 99.27 7.69 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 177.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.71 -129.4 12.01 Favored Glycine 0 N--CA 1.433 -1.532 0 N-CA-C 107.985 -2.046 . . . . 0.0 107.985 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -97.42 14.61 25.72 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.837 -0.745 . . . . 0.0 110.293 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 20.4 m -122.51 128.03 25.6 Favored Pre-proline 0 N--CA 1.404 -2.746 0 C-N-CA 119.204 -0.998 . . . . 0.0 110.69 -171.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -61.63 124.44 14.61 Favored 'Trans proline' 0 N--CA 1.442 -1.551 0 C-N-CA 122.265 1.977 . . . . 0.0 109.417 171.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -121.67 140.09 52.72 Favored 'General case' 0 N--CA 1.419 -2.011 0 CA-C-O 120.982 0.42 . . . . 0.0 110.841 -176.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.483 ' O ' ' HA ' ' A' ' 14' ' ' ALA . 85.7 t -106.47 129.5 59.79 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -79.94 113.12 17.86 Favored 'General case' 0 C--N 1.315 -0.904 0 O-C-N 123.754 0.659 . . . . 0.0 109.946 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -93.94 124.93 54.9 Favored Pre-proline 0 C--N 1.302 -1.48 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 178.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -61.4 129.01 26.59 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.769 1.646 . . . . 0.0 110.488 176.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.38 -29.94 64.48 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 123.071 0.549 . . . . 0.0 111.277 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -56.67 -38.53 72.36 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 123.757 0.823 . . . . 0.0 110.66 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.74 -34.12 40.23 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-O 121.082 0.467 . . . . 0.0 110.853 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 83.4 mmm -55.22 -46.77 75.95 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.524 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -66.4 -38.46 87.54 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 113.997 -1.456 . . . . 0.0 111.161 174.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.77 -32.26 70.65 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-O 121.653 0.739 . . . . 0.0 112.163 -174.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.444 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 76.0 mt -100.02 -2.5 34.3 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-O 121.493 0.663 . . . . 0.0 110.147 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 55.38 66.04 1.33 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 125.746 1.618 . . . . 0.0 113.734 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -130.44 164.15 25.4 Favored 'General case' 0 N--CA 1.4 -2.937 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.089 172.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -131.23 -176.21 3.94 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.71 139.43 20.58 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-O 121.278 0.561 . . . . 0.0 110.473 177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.8 46.03 3.14 Favored 'General case' 0 C--N 1.304 -1.392 0 C-N-CA 126.505 1.922 . . . . 0.0 110.657 -176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -104.14 130.62 51.88 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 104.962 -2.236 . . . . 0.0 104.962 171.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -81.33 130.7 35.14 Favored 'General case' 0 C--N 1.287 -2.146 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.504 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.4 m -130.97 153.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.419 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 40.1 mtmt -90.75 141.27 28.97 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 120.081 -0.648 . . . . 0.0 110.963 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 12.1 mm -116.77 98.7 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 171.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -104.12 135.83 44.87 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -93.33 125.94 38.19 Favored 'General case' 0 N--CA 1.384 -3.735 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 177.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.468 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 32.2 t -146.87 132.98 13.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 -177.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 57.07 24.8 10.05 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.041 0.936 . . . . 0.0 112.571 175.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.65 16.96 78.42 Favored Glycine 0 N--CA 1.438 -1.176 0 CA-C-N 116.101 -0.499 . . . . 0.0 113.792 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 13.5 ptpt -130.06 168.31 16.94 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 117.514 0.657 . . . . 0.0 109.447 178.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 57.6 mt -95.15 115.02 26.88 Favored 'General case' 0 CA--C 1.483 -1.615 0 CA-C-O 121.806 0.812 . . . . 0.0 109.7 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -101.4 117.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.958 0 CA-C-N 114.189 -1.369 . . . . 0.0 107.971 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 56.9 mt -117.23 122.79 70.77 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.657 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.728 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -130.79 151.6 79.11 Favored Pre-proline 0 C--N 1.279 -2.498 0 N-CA-C 104.486 -2.413 . . . . 0.0 104.486 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -83.34 170.32 11.98 Favored 'Trans proline' 0 N--CA 1.406 -3.671 0 N-CA-C 108.87 -1.242 . . . . 0.0 108.87 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' B' ' 33' ' ' VAL . 37.1 t -106.86 119.45 56.45 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.999 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -75.51 127.02 32.18 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -92.46 96.07 10.02 Favored 'General case' 0 N--CA 1.416 -2.159 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' A' ' -10' ' ' HIS . 40.1 mt-10 . . . . . 0 C--N 1.281 -2.402 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 CA--C 1.51 -0.579 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -103.44 -41.36 6.03 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.123 0.487 . . . . 0.0 109.709 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -93.53 87.31 5.49 Favored 'General case' 0 N--CA 1.429 -1.52 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -174.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 35.7 m -91.43 -8.76 10.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 172.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 6.0 p-80 -82.84 62.69 6.56 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 114.203 -1.362 . . . . 0.0 112.77 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -102.08 142.94 32.56 Favored 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.965 174.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -89.56 -24.21 21.79 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.699 0.762 . . . . 0.0 109.275 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -104.49 103.34 13.02 Favored 'General case' 0 N--CA 1.419 -1.986 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 -83.97 86.44 7.18 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-O 121.412 0.625 . . . . 0.0 109.961 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -128.59 0.56 5.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 24.1 ptm -79.03 102.85 8.59 Favored 'General case' 0 N--CA 1.433 -1.315 0 CA-C-N 114.555 -1.202 . . . . 0.0 111.796 -177.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 49.9 m -137.78 -54.45 0.66 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.39 172.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' A' ' -1' ' ' ASP . 25.1 t70 -83.12 -15.45 50.7 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.829 0.823 . . . . 0.0 109.814 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -60.41 -48.41 81.87 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.594 -1.185 . . . . 0.0 111.491 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -99.64 -41.95 7.1 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.674 -175.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' -4' ' ' ASP . 31.0 t70 -119.62 138.7 53.07 Favored 'General case' 0 C--N 1.307 -1.244 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.407 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -122.17 34.72 5.08 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.637 0.732 . . . . 0.0 110.29 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 114.18 100.22 2.36 Favored Glycine 0 N--CA 1.419 -2.453 0 CA-C-N 115.286 -0.87 . . . . 0.0 112.541 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 78.5 mt -74.47 126.94 35.93 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.9 123.94 48.78 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 120.15 -0.62 . . . . 0.0 109.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.8 m -137.6 -166.3 1.92 Allowed 'General case' 0 C--N 1.285 -2.2 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 59.8 p -148.82 151.36 34.63 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 118.205 0.457 . . . . 0.0 110.336 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.5 t -76.63 117.68 21.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 176.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.431 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 71.6 mmtt -108.93 170.05 8.29 Favored 'General case' 0 C--N 1.287 -2.123 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -100.67 122.56 43.54 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -112.53 95.95 5.72 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.79 -124.57 8.66 Favored Glycine 0 N--CA 1.426 -1.988 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 -175.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -101.02 20.43 15.56 Favored 'General case' 0 C--N 1.291 -1.952 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -134.49 137.47 27.84 Favored Pre-proline 0 N--CA 1.417 -2.109 0 O-C-N 121.698 -0.626 . . . . 0.0 110.294 -173.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 23.3 Cg_endo -68.87 129.75 19.13 Favored 'Trans proline' 0 C--N 1.313 -1.308 0 C-N-CA 122.864 2.376 . . . . 0.0 111.091 174.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.61 140.69 49.47 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.645 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 89.4 t -111.86 128.59 68.34 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.365 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -74.69 132.81 41.97 Favored 'General case' 0 C--N 1.318 -0.791 0 O-C-N 123.442 0.464 . . . . 0.0 110.914 178.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.3 mm -98.7 129.92 28.97 Favored Pre-proline 0 C--N 1.303 -1.424 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -61.16 131.28 35.91 Favored 'Trans proline' 0 C--O 1.251 1.165 0 C-N-CA 121.918 1.746 . . . . 0.0 111.474 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.72 66.78 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 123.111 0.564 . . . . 0.0 110.943 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.9 m -57.05 -42.98 81.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.235 176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -77.04 -33.37 57.35 Favored 'General case' 0 CA--C 1.476 -1.888 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.305 -177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.3 mmm -51.31 -53.0 40.17 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.629 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -69.91 -32.61 71.01 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 114.623 -1.171 . . . . 0.0 111.337 178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.13 -35.59 71.79 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-O 121.646 0.736 . . . . 0.0 110.829 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.1 mt -92.82 -10.16 37.81 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.714 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 64.22 27.09 13.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.595 1.158 . . . . 0.0 111.362 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.93 178.05 5.89 Favored 'General case' 0 N--CA 1.421 -1.895 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 -177.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.592 ' O ' ' HB2' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -144.03 -175.95 4.81 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -176.331 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 38.0 mm -77.77 136.18 24.75 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 174.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 79.92 14.3 0.92 Allowed 'General case' 0 CA--C 1.483 -1.618 0 C-N-CA 125.645 1.578 . . . . 0.0 111.199 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.592 ' HB2' ' O ' ' A' ' 28' ' ' ASN . 2.8 t70 -76.42 115.83 16.53 Favored 'General case' 0 CA--C 1.482 -1.655 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' SER . 27.2 tt0 -75.14 132.44 41.2 Favored 'General case' 0 N--CA 1.405 -2.677 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 -179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.435 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.0 m -124.97 158.56 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 C-N-CA 120.106 -0.638 . . . . 0.0 112.201 -174.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HG3' HG22 ' A' ' 47' ' ' VAL . 22.3 mtpp -94.45 109.79 21.63 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.198 176.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.18 98.2 8.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 170.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.41 122.59 40.64 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -177.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -99.77 128.51 45.86 Favored 'General case' 0 N--CA 1.389 -3.477 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -176.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.6 t -141.74 108.89 2.09 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.22 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 66.21 21.21 11.1 Favored 'General case' 0 N--CA 1.499 2.004 0 C-N-CA 123.885 0.874 . . . . 0.0 111.496 176.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' O ' HD21 ' B' ' 25' ' ' LEU . . . 95.57 -14.96 64.1 Favored Glycine 0 C--N 1.303 -1.298 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.311 -178.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 ttmm -86.08 140.13 30.52 Favored 'General case' 0 N--CA 1.423 -1.82 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.411 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 7.0 mp -101.12 140.08 35.92 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.388 0.613 . . . . 0.0 110.531 179.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -118.28 137.4 52.36 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.444 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 44.2 mm -113.51 107.57 23.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.889 0 CA-C-O 121.869 0.842 . . . . 0.0 110.023 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -131.91 136.37 28.19 Favored Pre-proline 0 C--N 1.295 -1.783 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -85.47 169.99 9.36 Favored 'Trans proline' 0 N--CA 1.407 -3.607 0 CA-C-N 120.251 1.125 . . . . 0.0 109.827 -176.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG22 ' HG3' ' A' ' 34' ' ' LYS . 44.1 t -95.2 93.23 3.71 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.679 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 177.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.6 mtt180 -87.61 130.14 34.87 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-N 113.755 -1.566 . . . . 0.0 108.323 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 140.77 43.71 Favored 'General case' 1 N--CA 1.366 -4.643 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 178.137 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 . . . . . 0 C--N 1.26 -3.315 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 177.389 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -100.22 -39.42 8.05 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.611 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -90.73 73.7 6.66 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 122.254 1.026 . . . . 0.0 113.025 -175.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 35.4 m -85.93 -3.38 8.53 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.968 0 CA-C-O 122.376 1.084 . . . . 0.0 108.554 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -90.37 74.19 6.95 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.197 -1.365 . . . . 0.0 111.682 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -113.1 140.61 47.73 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-N 114.88 -1.054 . . . . 0.0 108.625 175.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -86.06 -29.77 23.15 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -101.86 104.36 15.09 Favored 'General case' 0 N--CA 1.433 -1.322 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -83.1 80.09 9.16 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.838 0.828 . . . . 0.0 111.297 -175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -122.52 9.74 9.69 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 175.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 24.6 ptm -89.26 95.97 10.52 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 121.934 0.873 . . . . 0.0 111.634 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 49.2 m -130.06 -51.12 1.12 Allowed 'General case' 0 C--N 1.298 -1.657 0 O-C-N 121.777 -0.577 . . . . 0.0 109.904 172.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . 0.469 ' HA ' ' O ' ' B' ' -1' ' ' ASP . 14.7 t70 -84.73 -14.59 47.85 Favored 'General case' 0 C--N 1.316 -0.879 0 C-N-CA 124.053 0.941 . . . . 0.0 110.383 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.23 -51.5 69.69 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 114.477 -1.238 . . . . 0.0 111.173 178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -102.25 -33.26 9.68 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.349 -175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' B' ' -4' ' ' ASP . 33.3 t70 -124.55 138.4 54.33 Favored 'General case' 0 C--N 1.307 -1.258 0 C-N-CA 119.917 -0.713 . . . . 0.0 110.453 179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -121.0 27.33 8.53 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-O 121.306 0.574 . . . . 0.0 110.617 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 120.03 99.78 1.79 Allowed Glycine 0 N--CA 1.423 -2.167 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.151 177.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.438 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 80.2 mt -72.86 128.38 35.6 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -105.58 128.5 53.64 Favored 'General case' 0 C--N 1.301 -1.529 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.259 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 75.4 m -142.55 -166.65 2.32 Favored 'General case' 0 C--N 1.282 -2.327 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.496 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 20.4 p -147.74 151.64 36.42 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -177.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.8 t -80.52 115.95 23.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 N-CA-C 107.718 -1.216 . . . . 0.0 107.718 175.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.496 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 71.8 mmtt -107.19 172.76 6.65 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.5 ttm-85 -104.28 120.37 41.03 Favored 'General case' 0 C--N 1.303 -1.429 0 C-N-CA 120.197 -0.601 . . . . 0.0 110.123 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -109.03 95.05 5.38 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.38 -124.08 8.69 Favored Glycine 0 N--CA 1.422 -2.264 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -176.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -101.7 21.4 14.52 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-N 117.181 0.491 . . . . 0.0 111.599 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 57.5 m -139.31 138.39 20.56 Favored Pre-proline 0 N--CA 1.415 -2.195 0 O-C-N 121.48 -0.763 . . . . 0.0 110.751 -175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -66.69 132.79 29.75 Favored 'Trans proline' 0 C--N 1.32 -0.927 0 C-N-CA 123.179 2.586 . . . . 0.0 111.567 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.1 140.05 47.44 Favored 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 98.5 t -110.0 129.96 64.04 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.26 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 178.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -76.17 127.88 33.82 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 123.409 0.443 . . . . 0.0 111.443 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.42 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.3 mm -94.98 127.94 41.02 Favored Pre-proline 0 C--N 1.307 -1.282 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 175.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -62.75 128.03 22.16 Favored 'Trans proline' 0 C--O 1.251 1.15 0 C-N-CA 121.953 1.768 . . . . 0.0 111.408 177.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.68 -30.43 43.4 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.918 0.887 . . . . 0.0 111.794 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 3.8 m -58.39 -39.57 80.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 123.769 0.827 . . . . 0.0 110.652 178.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -80.24 -33.41 38.01 Favored 'General case' 0 CA--C 1.473 -1.983 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.018 -177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.0 mmm -50.62 -52.62 37.75 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.272 173.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -67.9 -33.81 75.42 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 114.136 -1.393 . . . . 0.0 111.531 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.96 -35.63 66.97 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.325 0.583 . . . . 0.0 111.339 -173.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.453 HD21 ' O ' ' A' ' 40' ' ' GLY . 85.5 mt -93.69 -6.04 47.17 Favored 'General case' 0 C--N 1.305 -1.348 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.596 -178.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 62.58 28.16 16.54 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 124.369 1.067 . . . . 0.0 111.804 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -97.23 177.62 5.51 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.045 -175.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.555 ' O ' ' HB2' ' B' ' 31' ' ' ASP . 0.1 OUTLIER -142.9 -173.55 3.93 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -177.407 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 40.3 mm -79.43 139.64 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.059 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 175.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 76.57 14.93 2.18 Favored 'General case' 0 CA--C 1.478 -1.811 0 C-N-CA 125.445 1.498 . . . . 0.0 111.283 -173.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.555 ' HB2' ' O ' ' B' ' 28' ' ' ASN . 3.6 t70 -76.39 116.48 17.12 Favored 'General case' 0 CA--C 1.478 -1.799 0 N-CA-C 105.261 -2.126 . . . . 0.0 105.261 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.95 131.91 39.9 Favored 'General case' 0 N--CA 1.41 -2.459 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.3 m -125.83 154.8 35.08 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.507 0 C-N-CA 119.249 -0.98 . . . . 0.0 112.383 -174.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' B' ' 47' ' ' VAL . 22.4 mtpp -90.26 109.08 20.18 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-N 114.404 -1.271 . . . . 0.0 110.926 177.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.3 mp -91.26 100.28 10.96 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 170.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.91 122.55 41.17 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.422 -1.695 . . . . 0.0 106.422 -177.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -101.06 126.83 47.77 Favored 'General case' 0 N--CA 1.384 -3.727 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -177.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 60.4 t -139.6 105.83 2.43 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.464 0 CA-C-N 114.685 -1.143 . . . . 0.0 109.554 -176.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 65.99 21.39 11.31 Favored 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 123.94 0.896 . . . . 0.0 111.806 175.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.61 -8.49 71.37 Favored Glycine 0 C--N 1.299 -1.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.527 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -92.07 140.8 29.28 Favored 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 7.0 mp -101.16 145.34 28.92 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.318 0.58 . . . . 0.0 110.498 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.5 mm -124.14 136.33 60.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.322 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 41.3 mm -112.15 107.78 23.84 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 CA-C-O 121.894 0.854 . . . . 0.0 110.166 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -130.92 133.63 25.01 Favored Pre-proline 0 C--N 1.294 -1.84 0 N-CA-C 103.982 -2.599 . . . . 0.0 103.982 177.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -85.7 169.32 9.34 Favored 'Trans proline' 0 N--CA 1.401 -3.931 0 C-N-CA 121.099 1.2 . . . . 0.0 109.676 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.441 HG22 ' HG3' ' B' ' 34' ' ' LYS . 43.2 t -95.34 94.05 4.13 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.909 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -89.69 132.8 34.98 Favored 'General case' 0 C--N 1.272 -2.8 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.19 142.75 44.14 Favored 'General case' 1 N--CA 1.367 -4.624 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 179.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 C--N 1.261 -3.254 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 178.228 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 CA--C 1.509 -0.631 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 22.5 p-80 -84.32 106.12 15.69 Favored 'General case' 0 N--CA 1.442 -0.875 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -99.8 154.83 18.02 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 -177.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 18.8 m -112.46 126.94 69.91 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.715 175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -78.67 -26.57 45.04 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -121.59 102.13 8.04 Favored 'General case' 0 N--CA 1.425 -1.691 0 CA-C-N 114.36 -1.291 . . . . 0.0 107.762 174.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -85.16 -70.05 0.61 Allowed 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 56.57 -92.56 0.03 OUTLIER 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.297 0.998 . . . . 0.0 109.458 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 65.18 -60.07 0.25 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.561 1.544 . . . . 0.0 112.783 174.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -95.41 154.14 17.35 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 97.2 mmm -77.09 81.26 3.61 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.544 0.688 . . . . 0.0 109.79 176.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 8.9 m -114.29 -9.46 12.82 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 114.955 -1.02 . . . . 0.0 110.084 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -73.48 -35.75 65.72 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 122.31 1.052 . . . . 0.0 109.656 -175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -85.31 1.0 50.28 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-N 113.29 -1.777 . . . . 0.0 110.378 -177.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.07 -22.67 61.33 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.511 0.672 . . . . 0.0 110.606 177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.68 85.89 1.64 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 173.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -131.41 -9.08 3.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.969 -171.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -91.78 -155.04 31.41 Favored Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.041 -1.076 . . . . 0.0 112.084 -173.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 38.6 mm -78.81 118.43 26.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.757 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 178.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -88.13 83.68 6.97 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -174.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -109.1 -167.88 1.27 Allowed 'General case' 0 C--N 1.29 -2.022 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.506 -175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -152.46 148.42 27.4 Favored 'General case' 0 N--CA 1.407 -2.612 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.5 t -83.78 125.39 40.16 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.23 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -120.38 164.68 15.99 Favored 'General case' 0 C--N 1.283 -2.321 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -95.21 116.18 28.41 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.197 0.522 . . . . 0.0 111.436 -176.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 13.8 t90 -105.05 95.04 5.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 176.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.46 -120.7 7.75 Favored Glycine 0 N--CA 1.432 -1.576 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 -175.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -108.02 30.74 6.09 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 176.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HA ' ' HD2' ' A' ' 13' ' ' PRO . 46.6 t -136.08 124.1 15.06 Favored Pre-proline 0 N--CA 1.423 -1.824 0 O-C-N 121.372 -0.83 . . . . 0.0 110.218 -174.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.612 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 18.3 Cg_endo -66.72 122.02 9.34 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.063 1.842 . . . . 0.0 109.899 172.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -122.08 141.65 51.17 Favored 'General case' 0 N--CA 1.422 -1.841 0 CA-C-O 121.117 0.484 . . . . 0.0 111.406 -175.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.11 127.79 66.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -79.0 125.17 29.03 Favored 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 123.602 0.564 . . . . 0.0 111.315 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.515 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 48.9 mm -98.3 135.58 21.22 Favored Pre-proline 0 C--N 1.305 -1.364 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -72.1 133.93 22.28 Favored 'Trans proline' 0 N--CA 1.444 -1.387 0 C-N-CA 121.383 1.389 . . . . 0.0 109.618 174.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.02 67.99 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.477 0.655 . . . . 0.0 110.96 -178.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 4.4 m -58.77 -41.03 85.62 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 123.681 0.792 . . . . 0.0 109.586 174.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 4.0 mm? -78.34 -33.35 49.16 Favored 'General case' 0 CA--C 1.473 -2.016 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.192 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.602 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 82.0 mtp -51.83 -49.13 63.43 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 123.943 0.777 . . . . 0.0 109.688 173.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -65.8 -35.18 79.97 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 114.785 -1.098 . . . . 0.0 110.869 178.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.49 -34.31 72.22 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.889 -176.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 21' ' ' LEU . 63.5 mt -94.14 -5.77 46.43 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.134 -178.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 66.49 18.59 10.84 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 126.097 1.759 . . . . 0.0 113.029 178.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.92 166.91 11.94 Favored 'General case' 0 N--CA 1.428 -1.536 0 O-C-N 122.312 -0.242 . . . . 0.0 110.957 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 37.1 m-80 -131.79 -178.38 4.85 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.935 0.397 . . . . 0.0 111.012 -173.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -76.85 140.46 17.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.629 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 172.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.8 t70 71.21 23.34 4.1 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.775 1.23 . . . . 0.0 108.964 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -99.36 140.11 34.02 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 105.49 -2.041 . . . . 0.0 105.49 178.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -81.36 134.41 35.57 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.191 -175.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.3 m -133.37 150.92 32.78 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 CA-C-O 120.987 0.422 . . . . 0.0 110.547 -177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB2' ' HE3' ' A' ' 34' ' ' LYS . 33.7 mtmt -96.19 129.13 43.57 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 176.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CG2' HD22 ' A' ' 42' ' ' LEU . 2.9 mp -99.71 98.24 6.8 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.628 0 N-CA-C 104.362 -2.459 . . . . 0.0 104.362 165.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.85 130.9 44.73 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.27 -1.381 . . . . 0.0 107.27 -172.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -89.62 130.57 35.9 Favored 'General case' 0 N--CA 1.403 -2.803 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.596 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 47.7 t -147.93 130.38 7.17 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.183 0 CA-C-N 114.465 -1.243 . . . . 0.0 107.69 178.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 59.26 21.67 9.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 124.231 1.012 . . . . 0.0 113.353 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.03 21.33 79.94 Favored Glycine 0 C--N 1.301 -1.41 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.59 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 38' ' ' VAL . 14.1 pttt -127.27 156.63 41.61 Favored 'General case' 0 C--O 1.249 1.042 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 176.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.429 HD22 ' CG2' ' A' ' 35' ' ' ILE . 45.0 mt -93.14 133.0 36.77 Favored 'General case' 0 CA--C 1.476 -1.874 0 C-N-CA 119.404 -0.918 . . . . 0.0 109.937 -178.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.457 HD12 HD12 ' B' ' 43' ' ' ILE . 32.6 mm -112.41 136.06 49.84 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.275 0 CA-C-N 113.917 -1.492 . . . . 0.0 107.637 -178.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.432 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 49.1 mm -107.49 107.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 36.8 tt0 -130.26 124.98 21.6 Favored Pre-proline 0 N--CA 1.42 -1.942 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 1.1 Cg_endo -82.62 170.71 12.68 Favored 'Trans proline' 0 N--CA 1.421 -2.786 0 C-N-CA 122.055 1.837 . . . . 0.0 111.373 -173.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.7 t -106.63 104.36 16.91 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.482 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD2' ' OE2' ' A' ' 50' ' ' GLU . 17.5 ptt180 -71.98 138.71 48.2 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 123.936 0.773 . . . . 0.0 111.351 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -84.84 95.5 9.02 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-O 122.064 0.935 . . . . 0.0 110.174 -179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.408 ' OE2' ' HD2' ' A' ' 48' ' ' ARG . 38.4 mt-10 . . . . . 0 C--N 1.294 -1.822 0 CA-C-N 112.635 -2.075 . . . . 0.0 107.339 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 CA--C 1.506 -0.732 0 N-CA-C 111.159 0.059 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -89.44 109.19 20.14 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 119.456 -0.897 . . . . 0.0 109.152 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -102.97 149.84 24.14 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.418 0.628 . . . . 0.0 111.512 -175.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 22.1 m -109.44 120.12 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.493 175.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -71.05 -30.6 66.81 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -115.16 105.94 13.5 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 173.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -86.38 -66.91 0.85 Allowed 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 50.08 -94.39 0.03 OUTLIER 'General case' 0 C--O 1.241 0.657 0 O-C-N 124.721 1.263 . . . . 0.0 110.363 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 64.99 -55.73 0.3 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.835 1.654 . . . . 0.0 113.172 176.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -99.53 160.38 14.33 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 95.2 mmm -80.96 89.36 5.9 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 15.9 m -122.64 -13.85 7.87 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.224 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -69.64 -36.03 75.74 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.299 1.047 . . . . 0.0 109.906 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -86.21 0.01 54.71 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 113.273 -1.785 . . . . 0.0 110.605 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -74.87 -19.53 60.11 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.558 0.694 . . . . 0.0 110.321 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -76.94 83.68 3.48 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -129.48 -6.51 4.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.947 -1.024 . . . . 0.0 112.312 -170.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -91.84 -151.75 27.57 Favored Glycine 0 N--CA 1.436 -1.343 0 C-N-CA 119.578 -1.296 . . . . 0.0 112.574 -173.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 34.8 mm -81.83 119.71 31.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 177.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -89.79 83.46 6.21 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.026 -1.102 . . . . 0.0 108.026 -174.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.4 m -106.89 -167.63 1.3 Allowed 'General case' 0 C--N 1.289 -2.055 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.602 -174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -154.33 147.35 24.58 Favored 'General case' 0 N--CA 1.406 -2.671 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 48.2 t -82.29 120.51 33.89 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -116.06 161.35 19.02 Favored 'General case' 0 C--N 1.281 -2.382 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.2 ttm180 -93.48 115.85 28.38 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -175.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -103.64 95.01 5.76 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 176.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.02 -120.08 7.08 Favored Glycine 0 N--CA 1.432 -1.573 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 -175.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -105.56 20.59 18.64 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.727 0.775 . . . . 0.0 110.13 173.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -125.75 125.91 24.92 Favored Pre-proline 0 N--CA 1.419 -2.0 0 O-C-N 120.836 -1.165 . . . . 0.0 109.729 -173.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.602 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 17.9 Cg_endo -68.05 124.85 12.26 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 122.148 1.899 . . . . 0.0 109.507 173.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -124.63 139.96 53.39 Favored 'General case' 0 N--CA 1.42 -1.927 0 CA-C-O 121.126 0.488 . . . . 0.0 111.765 -175.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.23 128.67 63.52 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.094 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -82.2 121.49 26.68 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 123.734 0.646 . . . . 0.0 111.777 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.541 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 49.0 mm -94.82 134.69 24.6 Favored Pre-proline 0 C--N 1.303 -1.423 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.12 136.4 29.34 Favored 'Trans proline' 0 N--CA 1.449 -1.114 0 C-N-CA 121.357 1.371 . . . . 0.0 110.037 175.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.7 68.13 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.196 0.522 . . . . 0.0 110.56 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.2 m -57.7 -43.97 85.52 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-O 121.945 0.878 . . . . 0.0 109.31 174.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.427 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 4.0 mm? -76.94 -32.75 57.56 Favored 'General case' 0 CA--C 1.468 -2.211 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.376 -177.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.612 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 83.1 mtp -52.62 -49.11 65.78 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 123.83 0.706 . . . . 0.0 109.702 173.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -67.68 -33.04 74.12 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.668 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.62 -32.85 66.25 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.428 0.633 . . . . 0.0 110.731 -177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' B' ' 21' ' ' LEU . 73.1 mt -95.35 -2.24 49.56 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.74 -178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 64.02 21.71 12.69 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.767 1.227 . . . . 0.0 112.819 177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 pp -98.42 173.17 7.09 Favored 'General case' 0 N--CA 1.421 -1.896 0 O-C-N 122.084 -0.385 . . . . 0.0 110.356 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -139.91 179.72 6.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.807 0.336 . . . . 0.0 110.965 -174.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 25.2 mm -74.57 138.8 20.35 Favored 'Isoleucine or valine' 0 C--O 1.242 0.667 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 21.3 t70 74.04 18.53 3.19 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 125.043 1.337 . . . . 0.0 109.735 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -93.9 141.93 27.96 Favored 'General case' 0 N--CA 1.423 -1.823 0 N-CA-C 106.439 -1.689 . . . . 0.0 106.439 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -80.95 131.67 35.35 Favored 'General case' 0 C--N 1.281 -2.404 0 C-N-CA 123.903 0.881 . . . . 0.0 109.438 -176.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.17 150.18 32.32 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.226 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.073 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.5 ' HE3' ' HB2' ' B' ' 34' ' ' LYS . 36.3 mtmt -96.08 131.4 42.54 Favored 'General case' 0 N--CA 1.428 -1.569 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.823 175.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.439 HG22 HD22 ' B' ' 42' ' ' LEU . 3.1 mp -99.42 98.74 7.41 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.531 0 N-CA-C 104.237 -2.505 . . . . 0.0 104.237 165.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -97.92 136.3 38.41 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -172.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -94.24 130.48 40.48 Favored 'General case' 0 N--CA 1.4 -2.948 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 -176.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.634 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 51.4 t -147.8 127.67 4.63 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.238 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.417 179.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 61.68 22.12 12.7 Favored 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 124.215 1.006 . . . . 0.0 111.58 177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.83 18.65 79.64 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 115.971 -0.559 . . . . 0.0 112.831 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.634 ' HG2' ' O ' ' B' ' 38' ' ' VAL . 21.3 pttt -124.43 157.8 34.3 Favored 'General case' 0 C--O 1.249 1.066 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 176.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.439 HD22 HG22 ' B' ' 35' ' ' ILE . 87.7 mt -91.76 131.96 36.75 Favored 'General case' 0 CA--C 1.477 -1.836 0 CA-C-O 121.692 0.758 . . . . 0.0 110.366 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.457 HD12 HD12 ' A' ' 43' ' ' ILE . 32.8 mm -112.78 136.57 48.65 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.239 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.089 -178.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 49.0 mm -108.16 105.48 18.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 CA-C-O 121.762 0.792 . . . . 0.0 109.528 -177.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.456 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 34.9 tt0 -128.28 124.91 23.16 Favored Pre-proline 0 N--CA 1.416 -2.134 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.6 Cg_endo -83.14 170.79 11.93 Favored 'Trans proline' 0 N--CA 1.415 -3.14 0 C-N-CA 121.866 1.711 . . . . 0.0 111.136 -174.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 9.6 t -104.98 106.44 20.5 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.627 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 -178.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -72.17 142.05 49.08 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 123.716 0.635 . . . . 0.0 110.731 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -89.12 95.51 10.34 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-O 121.852 0.834 . . . . 0.0 110.145 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 . . . . . 0 C--N 1.304 -1.396 0 C-N-CA 126.821 2.048 . . . . 0.0 106.886 178.779 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.494 -1.193 0 CA-C-O 120.872 0.367 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -94.16 154.76 17.41 Favored 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -113.7 18.58 17.38 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.831 0.824 . . . . 0.0 110.256 178.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 58.3 t -96.31 130.11 45.43 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 114.945 -1.025 . . . . 0.0 108.83 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -85.28 92.39 8.42 Favored 'General case' 0 C--N 1.308 -1.209 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 176.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -118.6 -0.01 11.44 Favored 'General case' 0 C--N 1.304 -1.379 0 CA-C-O 121.565 0.697 . . . . 0.0 109.986 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -82.78 121.2 26.6 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -80.49 104.29 10.93 Favored 'General case' 0 C--N 1.301 -1.519 0 CA-C-O 121.633 0.73 . . . . 0.0 110.925 -178.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -88.41 -23.16 23.39 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.339 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -100.73 -170.52 1.86 Allowed 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.718 -1.128 . . . . 0.0 108.84 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 26.6 mmt -94.37 27.59 2.88 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 122.277 -0.265 . . . . 0.0 111.202 -173.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.8 m 59.04 40.38 22.25 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 122.176 0.989 . . . . 0.0 108.726 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -58.94 -30.39 67.83 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.905 -1.498 . . . . 0.0 114.164 -173.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -84.42 -25.07 29.27 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 120.331 -0.547 . . . . 0.0 110.285 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.1 -45.89 91.45 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.006 -176.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -94.41 118.7 32.04 Favored 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . 0.451 ' HG2' ' CD ' ' B' ' 34' ' ' LYS . 64.1 mttp -121.01 86.16 2.53 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -56.16 -85.3 0.03 OUTLIER Glycine 0 C--N 1.315 -0.585 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.759 176.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.2 mt -114.35 127.93 71.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -114.62 108.32 16.67 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 121.879 0.847 . . . . 0.0 111.26 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 38.5 m -120.1 -161.3 0.87 Allowed 'General case' 0 C--N 1.291 -1.943 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.918 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.3 p -148.39 149.19 31.32 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 118.395 0.543 . . . . 0.0 111.119 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.1 t -77.34 118.96 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.114 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -108.65 171.11 7.61 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 -179.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -106.96 117.61 34.5 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 120.014 -0.674 . . . . 0.0 111.583 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 15.1 t90 -103.86 98.7 8.51 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.98 -120.52 8.7 Favored Glycine 0 N--CA 1.433 -1.523 0 N-CA-C 108.809 -1.717 . . . . 0.0 108.809 -175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -107.6 26.17 10.6 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-N 117.153 0.476 . . . . 0.0 110.5 173.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 t -129.13 122.2 21.05 Favored Pre-proline 0 N--CA 1.402 -2.858 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -174.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HB2' ' HB ' ' B' ' 17' ' ' ILE . 8.4 Cg_exo -61.31 125.68 17.49 Favored 'Trans proline' 0 N--CA 1.444 -1.392 0 C-N-CA 121.812 1.674 . . . . 0.0 108.726 170.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.555 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -128.13 136.93 51.83 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-O 121.027 0.441 . . . . 0.0 110.46 -174.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 58.4 t -106.77 129.96 59.46 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -79.82 120.01 23.49 Favored 'General case' 0 N--CA 1.437 -1.086 0 O-C-N 123.717 0.636 . . . . 0.0 111.646 -179.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' B' ' 13' ' ' PRO . 36.9 mm -97.98 128.01 35.19 Favored Pre-proline 0 C--N 1.301 -1.542 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.98 134.52 50.19 Favored 'Trans proline' 0 C--O 1.249 1.051 0 C-N-CA 121.416 1.411 . . . . 0.0 110.203 176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.21 -26.93 66.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.358 0.599 . . . . 0.0 110.222 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.7 m -59.69 -43.42 94.04 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.855 0.862 . . . . 0.0 110.099 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.3 -34.89 63.64 Favored 'General case' 0 CA--C 1.477 -1.827 0 CA-C-O 120.934 0.397 . . . . 0.0 111.314 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 86.0 mmm -52.39 -53.61 42.68 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 114.862 -1.063 . . . . 0.0 109.322 173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.71 -36.22 80.29 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 114.146 -1.388 . . . . 0.0 111.515 176.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.7 -28.23 61.63 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.037 -175.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 29.2 mt -104.05 5.02 35.0 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.148 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 68.65 23.16 7.24 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.348 1.059 . . . . 0.0 113.655 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.67 154.18 20.8 Favored 'General case' 0 N--CA 1.42 -1.962 0 CA-C-O 121.408 0.623 . . . . 0.0 110.455 179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -123.85 -173.65 2.8 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.3 mm -75.68 139.1 19.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.249 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.6 t70 81.55 18.21 0.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.792 2.037 . . . . 0.0 111.212 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -85.52 131.95 34.28 Favored 'General case' 0 C--O 1.252 1.216 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 177.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' B' ' 4' ' ' SER . 37.1 tt0 -69.74 136.53 51.06 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 124.135 0.897 . . . . 0.0 110.729 -177.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' B' ' 3' ' ' HIS . 2.8 m -133.06 150.01 32.31 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.24 0 CA-C-O 121.474 0.654 . . . . 0.0 110.785 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.44 ' CD ' ' HG2' ' B' ' 0' ' ' LYS . 7.2 mtmp? -95.47 125.15 39.88 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-N 114.491 -1.231 . . . . 0.0 108.614 175.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 3.5 mp -102.54 104.64 16.81 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 172.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' A' ' 43' ' ' ILE . 40.3 m-20 -112.99 133.09 55.11 Favored 'General case' 0 C--N 1.289 -2.023 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -89.16 127.55 35.74 Favored 'General case' 0 N--CA 1.385 -3.703 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -143.4 118.55 4.34 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.074 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 59.38 22.35 10.76 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.61 10.94 56.28 Favored Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.255 -0.974 . . . . 0.0 113.21 178.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.65 160.41 31.7 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 175.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.8 mt -96.76 113.93 25.53 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.391 -177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 1.5 mp -95.4 116.09 36.07 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.087 0 CA-C-N 114.182 -1.372 . . . . 0.0 108.62 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.19 105.02 17.86 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.812 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.218 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 44.4 tt0 -119.67 118.36 32.09 Favored Pre-proline 0 C--N 1.307 -1.266 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.78 -179.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 5.6 Cg_endo -56.29 148.64 59.82 Favored 'Trans proline' 0 N--CA 1.436 -1.875 0 C-N-CA 124.139 3.226 . . . . 0.0 110.652 173.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -103.43 112.67 37.79 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.934 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.286 -176.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -81.28 140.84 34.6 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.436 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -97.68 100.17 11.55 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.084 -177.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.284 -2.242 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 174.538 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 . . . . . 0 CA--C 1.494 -1.198 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -106.11 161.15 14.76 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -119.7 15.91 12.74 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.821 0.819 . . . . 0.0 110.08 177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 61.5 t -93.33 126.81 45.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 CA-C-N 115.003 -0.999 . . . . 0.0 108.445 178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -83.44 85.47 7.24 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-O 121.346 0.594 . . . . 0.0 109.584 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -107.25 -14.15 14.96 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.129 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -72.36 119.16 16.18 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 121.255 0.55 . . . . 0.0 110.725 -173.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 25.2 p-80 -79.38 98.96 6.95 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 122.29 1.043 . . . . 0.0 112.19 -177.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -89.01 -13.25 39.24 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.237 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -109.73 -177.29 3.23 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 24.8 mmt -91.51 33.99 0.98 Allowed 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 117.851 0.296 . . . . 0.0 111.532 -172.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 38.5 m 54.89 41.74 31.66 Favored 'General case' 0 C--N 1.343 0.322 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 -176.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -60.37 -27.81 67.71 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.707 -173.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -81.02 -27.55 35.76 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.426 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.23 -43.6 95.91 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-O 121.027 0.441 . . . . 0.0 111.459 -176.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -98.71 120.27 38.85 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.569 0.699 . . . . 0.0 110.544 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . 0.44 ' HG2' ' CD ' ' A' ' 34' ' ' LYS . 64.3 mttp -124.41 85.33 2.4 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -56.54 -67.05 2.42 Favored Glycine 0 C--N 1.307 -1.07 0 CA-C-N 114.931 -1.032 . . . . 0.0 112.549 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 86.1 mt -133.24 129.05 56.49 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' ' 33' ' ' VAL . 10.0 p80 -116.47 107.09 14.33 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 122.101 0.953 . . . . 0.0 111.81 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 53.0 m -115.92 -159.48 0.72 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.243 -1.344 . . . . 0.0 108.824 -179.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.442 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 10.5 p -148.86 148.81 30.32 Favored 'General case' 0 N--CA 1.425 -1.676 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 47.7 t -78.01 118.85 25.74 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.223 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.442 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.9 mmtt -107.37 172.88 6.58 Favored 'General case' 0 C--N 1.284 -2.26 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -107.77 118.79 37.67 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.437 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 14.2 t90 -105.86 96.93 6.83 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.56 -122.55 9.49 Favored Glycine 0 N--CA 1.434 -1.463 0 N-CA-C 109.139 -1.584 . . . . 0.0 109.139 -176.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -100.71 15.75 27.21 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 117.343 0.572 . . . . 0.0 111.104 174.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 47.3 t -124.14 126.25 25.61 Favored Pre-proline 0 N--CA 1.404 -2.736 0 O-C-N 121.705 -0.622 . . . . 0.0 109.786 -172.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.415 ' HB2' ' HB ' ' A' ' 17' ' ' ILE . 9.8 Cg_exo -62.1 129.73 28.2 Favored 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 122.046 1.83 . . . . 0.0 108.786 170.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.555 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -130.71 138.08 49.83 Favored 'General case' 0 N--CA 1.418 -2.036 0 CA-C-O 120.806 0.336 . . . . 0.0 110.986 -177.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.5 t -106.17 130.84 57.16 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -78.84 123.24 27.03 Favored 'General case' 0 C--N 1.313 -0.981 0 O-C-N 123.727 0.642 . . . . 0.0 110.921 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 13' ' ' PRO . 42.1 mm -102.44 128.22 28.72 Favored Pre-proline 0 C--N 1.301 -1.531 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -62.73 134.27 46.32 Favored 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 121.275 1.316 . . . . 0.0 110.257 176.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.56 -26.71 68.13 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 122.958 0.503 . . . . 0.0 110.06 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 23.2 m -60.91 -40.48 93.33 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.402 175.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -75.95 -35.17 59.78 Favored 'General case' 0 CA--C 1.48 -1.748 0 CA-C-O 120.847 0.356 . . . . 0.0 110.943 -179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -52.17 -53.05 47.84 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.387 173.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -64.1 -33.67 76.29 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.396 177.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.55 -32.6 66.21 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.386 -175.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 38.7 mt -102.78 9.21 39.17 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 115.49 -0.777 . . . . 0.0 112.558 -176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 65.78 19.35 11.35 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 173.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.424 ' C ' HD22 ' B' ' 28' ' ' ASN . 0.9 OUTLIER -102.38 154.02 19.47 Favored 'General case' 0 N--CA 1.417 -2.123 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.493 179.732 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.424 HD22 ' C ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER -123.14 -178.66 4.03 Favored 'General case' 0 C--N 1.287 -2.142 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 177.319 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -68.38 142.19 16.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 35.5 t70 76.51 23.93 1.08 Allowed 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 126.111 1.764 . . . . 0.0 110.743 179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -92.05 131.58 37.22 Favored 'General case' 0 CA--C 1.493 -1.245 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 4' ' ' SER . 38.6 tt0 -70.68 134.91 47.94 Favored 'General case' 0 N--CA 1.417 -2.104 0 O-C-N 124.234 0.958 . . . . 0.0 110.16 -178.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -132.56 147.99 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.904 -177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.451 ' CD ' ' HG2' ' A' ' 0' ' ' LYS . 6.9 mtmp? -92.8 129.52 38.69 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 176.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.469 ' HA ' ' O ' ' B' ' 43' ' ' ILE . 3.7 mp -106.46 104.08 16.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 106.781 -1.563 . . . . 0.0 106.781 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.508 ' O ' ' HB ' ' B' ' 43' ' ' ILE . 39.3 m-20 -113.43 128.71 56.54 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 -178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -85.95 126.28 33.99 Favored 'General case' 0 N--CA 1.392 -3.364 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -142.4 119.97 7.39 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.173 -177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 55.71 32.0 18.52 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 173.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.08 12.99 64.9 Favored Glycine 0 C--N 1.307 -1.038 0 C-N-CA 120.84 -0.695 . . . . 0.0 114.171 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.8 159.81 37.43 Favored 'General case' 0 C--N 1.308 -1.222 0 N-CA-C 112.897 0.703 . . . . 0.0 112.897 175.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -95.72 113.43 25.07 Favored 'General case' 0 N--CA 1.426 -1.651 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.301 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.508 ' HB ' ' O ' ' B' ' 36' ' ' ASP . 1.5 mp -94.74 116.17 35.4 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.177 0 CA-C-N 114.39 -1.277 . . . . 0.0 108.855 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.97 105.53 18.87 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.175 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.461 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 48.8 tt0 -121.92 119.05 29.06 Favored Pre-proline 0 C--N 1.305 -1.342 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.582 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 5.1 Cg_endo -55.83 150.72 44.12 Favored 'Trans proline' 0 N--CA 1.436 -1.865 0 C-N-CA 124.118 3.212 . . . . 0.0 110.669 174.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.45 117.24 49.7 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.665 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 -177.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -86.21 135.51 33.54 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.431 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -91.56 100.57 13.29 Favored 'General case' 0 N--CA 1.421 -1.877 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.341 -177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--N 1.265 -3.081 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 174.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 . . . . . 0 CA--C 1.506 -0.745 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -134.91 114.06 12.15 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -84.86 95.86 9.14 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 35.2 m -60.63 130.87 25.06 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-N 114.68 -1.146 . . . . 0.0 112.294 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -83.92 87.52 7.11 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 54.9 t60 -130.64 97.06 4.26 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 35.7 m170 63.1 21.26 12.77 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.357 1.063 . . . . 0.0 110.37 -177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -76.31 99.43 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -178.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -143.18 119.05 10.57 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.359 0.599 . . . . 0.0 111.016 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -106.83 144.03 34.07 Favored 'General case' 0 C--N 1.291 -1.949 0 N-CA-C 106.449 -1.686 . . . . 0.0 106.449 171.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 63.2 mtt -83.33 67.82 9.42 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.356 1.074 . . . . 0.0 111.884 -178.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 20.4 m -73.19 -11.31 60.48 Favored 'General case' 0 C--O 1.201 -1.459 0 CA-C-N 114.495 -1.229 . . . . 0.0 110.568 178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -61.64 -30.41 70.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.493 0.717 . . . . 0.0 112.031 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -82.57 -39.05 22.81 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.616 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -80.64 -13.25 59.2 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.145 0.498 . . . . 0.0 111.318 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.23 82.92 0.74 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 122.448 1.118 . . . . 0.0 109.826 179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -123.44 -1.72 8.56 Favored 'General case' 0 C--N 1.291 -1.964 0 CA-C-N 113.341 -1.754 . . . . 0.0 108.577 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' B' ' 35' ' ' ILE . . . -82.66 87.73 1.46 Allowed Glycine 0 CA--C 1.477 -2.295 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.37 123.9 13.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 CA-C-N 114.713 -0.744 . . . . 0.0 110.043 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -77.2 124.4 27.78 Favored 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 122.097 0.951 . . . . 0.0 111.319 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.6 m -144.48 -168.05 2.8 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 113.957 -1.474 . . . . 0.0 107.246 175.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 m -150.96 154.53 37.28 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 -178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.69 107.87 10.07 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.379 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 176.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -105.85 166.21 10.64 Favored 'General case' 0 N--CA 1.412 -2.332 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -98.68 110.82 23.36 Favored 'General case' 0 C--N 1.293 -1.887 0 CA-C-O 120.889 0.376 . . . . 0.0 111.336 -177.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.4 t90 -97.43 93.74 6.64 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.94 -118.28 4.93 Favored Glycine 0 N--CA 1.428 -1.879 0 N-CA-C 108.066 -2.014 . . . . 0.0 108.066 -176.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -111.11 26.97 10.13 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 116.944 0.372 . . . . 0.0 110.692 174.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.5 m -141.46 130.9 12.64 Favored Pre-proline 0 N--CA 1.43 -1.472 0 O-C-N 121.486 -0.759 . . . . 0.0 110.194 -176.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.719 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 17.5 Cg_endo -62.2 131.26 33.65 Favored 'Trans proline' 0 C--O 1.24 0.587 0 C-N-CA 123.074 2.516 . . . . 0.0 112.122 176.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.82 144.36 41.46 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.909 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.98 137.52 43.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -78.67 130.08 35.44 Favored 'General case' 0 N--CA 1.443 -0.791 0 O-C-N 123.834 0.708 . . . . 0.0 111.779 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.613 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -106.85 128.63 25.75 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 174.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -65.5 142.96 73.88 Favored 'Trans proline' 0 C--O 1.249 1.057 0 C-N-CA 121.716 1.611 . . . . 0.0 110.815 176.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -63.25 -28.03 69.75 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.097 0.475 . . . . 0.0 110.36 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.2 m -59.38 -38.5 80.66 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.399 0.619 . . . . 0.0 110.438 175.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.96 -32.78 59.68 Favored 'General case' 0 CA--C 1.477 -1.854 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.021 -178.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.711 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 84.7 mtp -54.98 -46.84 75.14 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 114.993 -1.003 . . . . 0.0 108.781 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 47.3 mt-30 -71.43 -25.74 62.44 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.342 -178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.67 -26.31 59.77 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 121.37 0.605 . . . . 0.0 110.473 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.8 mt -110.45 4.45 20.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.123 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 58.29 23.7 10.71 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.702 1.201 . . . . 0.0 112.763 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 pp -99.4 155.82 17.34 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-O 120.884 0.373 . . . . 0.0 110.432 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -124.4 -172.92 2.66 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.089 -175.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.6 mm -76.43 142.73 13.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 175.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 77.9 13.03 1.76 Allowed 'General case' 0 CA--C 1.499 -0.983 0 C-N-CA 124.57 1.148 . . . . 0.0 112.58 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -83.76 125.65 32.12 Favored 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.0 143.7 43.47 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 123.657 0.598 . . . . 0.0 110.286 -176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.467 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.9 m -136.18 152.9 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.294 0 CA-C-O 121.41 0.624 . . . . 0.0 111.356 -175.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.3 mtpp -103.26 119.34 38.68 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-N 113.91 -1.495 . . . . 0.0 109.97 177.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.45 97.19 5.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 174.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -98.84 128.78 45.14 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -90.5 124.67 35.18 Favored 'General case' 0 N--CA 1.385 -3.712 0 N-CA-C 106.203 -1.777 . . . . 0.0 106.203 175.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 41' ' ' LYS . 54.6 t -142.19 119.62 7.51 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.852 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.292 -174.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.6 t70 65.51 22.69 11.83 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 122.402 1.096 . . . . 0.0 110.022 176.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.34 31.2 63.77 Favored Glycine 0 N--CA 1.442 -0.928 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.053 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HG3' ' OE2' ' B' ' 45' ' ' GLU . 22.5 ttmm -128.88 145.01 51.33 Favored 'General case' 0 N--CA 1.424 -1.739 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.7 mt -89.04 115.44 26.59 Favored 'General case' 0 CA--C 1.485 -1.539 0 CA-C-O 121.745 0.783 . . . . 0.0 110.532 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.47 109.24 25.94 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.549 0 CA-C-N 113.986 -1.461 . . . . 0.0 108.209 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.488 HD13 HD13 ' B' ' 44' ' ' ILE . 1.9 mp -101.89 106.86 20.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.788 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.727 178.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.432 ' OE2' ' HG3' ' B' ' 41' ' ' LYS . 26.1 mm-40 -111.98 141.96 25.86 Favored Pre-proline 0 C--N 1.287 -2.134 0 CA-C-N 113.857 -1.519 . . . . 0.0 107.813 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -85.35 169.13 9.89 Favored 'Trans proline' 0 N--CA 1.407 -3.563 0 N-CA-C 107.208 -1.882 . . . . 0.0 107.208 176.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HA ' ' A' ' 33' ' ' VAL . 18.0 t -107.84 105.56 19.02 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.621 0 C-N-CA 117.445 -1.702 . . . . 0.0 109.091 179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -73.46 140.32 46.41 Favored 'General case' 0 N--CA 1.418 -2.074 0 N-CA-C 106.137 -1.801 . . . . 0.0 106.137 175.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.488 ' N ' ' HD2' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -82.28 106.75 14.42 Favored 'General case' 0 N--CA 1.399 -2.983 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 -168.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.291 -1.974 0 CA-C-N 112.025 -2.352 . . . . 0.0 109.564 -175.321 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 CA--C 1.497 -1.083 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -137.11 109.39 7.31 Favored 'General case' 0 N--CA 1.425 -1.695 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 176.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -81.73 96.67 7.63 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 32.8 m -59.8 136.99 22.84 Favored 'Isoleucine or valine' 0 C--O 1.25 1.086 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.721 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -91.68 90.5 7.58 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 178.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -135.57 95.81 3.33 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 36.5 m80 63.88 24.57 13.74 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.84 0.856 . . . . 0.0 110.194 -177.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -83.52 99.66 10.27 Favored 'General case' 0 N--CA 1.432 -1.351 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -144.29 121.88 11.79 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.415 -177.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -107.14 145.47 32.48 Favored 'General case' 0 C--N 1.286 -2.187 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 173.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 64.0 mtt -84.55 72.16 10.68 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 122.235 1.017 . . . . 0.0 110.716 -179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 16.6 m -80.59 -12.53 59.5 Favored 'General case' 0 N--CA 1.42 -1.953 0 CA-C-N 114.029 -1.442 . . . . 0.0 110.226 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -60.71 -28.04 68.35 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-O 121.318 0.58 . . . . 0.0 111.343 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -80.41 -41.23 24.95 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.598 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.78 -7.5 59.61 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 121.883 0.849 . . . . 0.0 110.631 -178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -74.99 83.78 2.25 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 122.311 1.053 . . . . 0.0 109.131 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -127.09 0.16 6.5 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 113.206 -1.815 . . . . 0.0 108.463 -176.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -86.55 83.32 1.6 Allowed Glycine 0 CA--C 1.481 -2.068 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -177.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 73.5 mt -55.53 122.89 5.42 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 C-N-CA 124.081 0.952 . . . . 0.0 110.679 -176.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -78.19 120.61 23.23 Favored 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.173 0.987 . . . . 0.0 112.019 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 57.6 m -140.13 -165.57 1.93 Allowed 'General case' 0 C--N 1.268 -2.978 0 CA-C-N 114.277 -1.329 . . . . 0.0 107.598 176.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 66.5 m -152.12 154.46 35.93 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -76.62 109.19 10.53 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -106.12 167.43 9.81 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 -178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' B' ' 10' ' ' GLY . 45.4 ttm180 -102.45 106.81 17.61 Favored 'General case' 0 C--N 1.291 -1.944 0 CA-C-O 120.905 0.383 . . . . 0.0 110.539 -176.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -91.77 94.24 9.25 Favored 'General case' 0 C--N 1.302 -1.469 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HG2' ' B' ' 8' ' ' ARG . . . 75.64 -120.07 5.94 Favored Glycine 0 N--CA 1.425 -2.042 0 N-CA-C 107.8 -2.12 . . . . 0.0 107.8 -175.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -109.23 24.55 12.94 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 120.623 -0.431 . . . . 0.0 112.063 174.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 18.3 m -136.03 129.57 18.12 Favored Pre-proline 0 N--CA 1.427 -1.614 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 -176.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.711 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 12.1 Cg_endo -62.85 131.25 32.26 Favored 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 122.848 2.366 . . . . 0.0 111.691 176.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.47 144.99 40.31 Favored 'General case' 0 N--CA 1.427 -1.593 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.134 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 97.9 t -112.14 135.77 50.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.494 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -76.93 132.31 38.99 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 123.721 0.638 . . . . 0.0 111.595 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.3 mp -106.66 130.24 23.21 Favored Pre-proline 0 C--N 1.297 -1.698 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -66.32 139.06 53.28 Favored 'Trans proline' 0 C--O 1.249 1.066 0 C-N-CA 121.912 1.741 . . . . 0.0 110.866 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.67 -26.04 66.8 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.256 0.551 . . . . 0.0 111.177 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 17.0 m -61.9 -38.4 88.25 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.98 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.65 -32.25 60.12 Favored 'General case' 0 CA--C 1.479 -1.772 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.355 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.719 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.9 mtp -54.67 -47.99 72.91 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.093 173.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -70.58 -25.05 62.89 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.44 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.27 -31.97 64.39 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.203 178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 69.5 mt -106.35 2.87 26.93 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.486 -178.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 58.54 25.35 13.0 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.849 1.26 . . . . 0.0 113.219 177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 4.5 pp -101.84 156.51 17.47 Favored 'General case' 0 N--CA 1.432 -1.349 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -126.62 -169.91 2.11 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 41.4 mm -75.29 144.77 11.68 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 75.18 14.31 3.08 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 124.737 1.215 . . . . 0.0 111.86 -179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -87.13 128.83 35.11 Favored 'General case' 0 N--CA 1.424 -1.743 0 N-CA-C 105.822 -1.918 . . . . 0.0 105.822 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.8 143.8 39.56 Favored 'General case' 0 C--N 1.29 -2.007 0 O-C-N 123.578 0.549 . . . . 0.0 110.916 -176.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.46 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.6 m -137.39 151.36 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.797 -176.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -101.72 119.37 38.68 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 114.596 -1.184 . . . . 0.0 109.971 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.414 ' O ' ' HA2' ' A' ' 1' ' ' GLY . 3.7 mp -98.32 95.7 4.6 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 173.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.35 125.42 41.95 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -87.67 123.81 32.9 Favored 'General case' 0 N--CA 1.386 -3.639 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 176.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.1 t -140.27 121.83 15.12 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.213 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.043 -175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 38.1 t70 64.27 21.67 12.59 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.11 0.957 . . . . 0.0 110.901 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.85 23.94 70.91 Favored Glycine 0 C--O 1.213 -1.209 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -177.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.432 ' HG3' ' OE2' ' A' ' 45' ' ' GLU . 22.3 ttmm -124.11 144.58 49.81 Favored 'General case' 0 N--CA 1.422 -1.874 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 73.5 mt -86.66 114.18 23.14 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 121.577 0.703 . . . . 0.0 110.791 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 45.0 mm -102.35 109.71 27.13 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.604 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.468 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.488 HD13 HD13 ' A' ' 44' ' ' ILE . 1.7 mp -102.66 106.05 19.27 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.774 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.242 178.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.467 ' OE2' ' HG3' ' A' ' 41' ' ' LYS . 27.3 mm-40 -111.25 142.95 27.43 Favored Pre-proline 0 C--N 1.289 -2.062 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.52 177.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -85.1 169.99 9.85 Favored 'Trans proline' 0 N--CA 1.408 -3.543 0 N-CA-C 107.252 -1.865 . . . . 0.0 107.252 176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' B' ' 33' ' ' VAL . 21.3 t -108.62 106.6 20.99 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.495 0 C-N-CA 117.308 -1.757 . . . . 0.0 109.11 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -73.11 140.51 47.18 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 176.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' B' ' 49' ' ' LYS . 0.9 OUTLIER -84.4 103.34 13.48 Favored 'General case' 0 N--CA 1.407 -2.615 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -169.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.293 -1.871 0 O-C-N 126.256 2.223 . . . . 0.0 109.2 -174.08 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 C--O 1.237 0.412 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -103.1 174.14 6.0 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -108.44 164.31 12.45 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 59.0 t -82.34 104.09 10.46 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -69.81 125.82 27.86 Favored 'General case' 0 C--N 1.312 -1.034 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 39.6 m80 74.17 114.54 0.06 Allowed 'General case' 0 N--CA 1.469 0.508 0 O-C-N 124.712 1.258 . . . . 0.0 110.015 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -66.23 -67.03 0.48 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.878 -178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -116.14 -0.03 12.81 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 119.944 -0.702 . . . . 0.0 111.984 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -83.66 76.26 9.99 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.852 0.834 . . . . 0.0 109.37 176.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -118.09 112.34 20.08 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.943 179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 90.6 mtp -67.29 102.17 1.04 Allowed 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.985 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 22.8 t 175.54 -39.75 0.01 OUTLIER 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 -175.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -71.59 -17.07 62.31 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.466 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.64 -64.44 0.83 Allowed 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 124.944 1.298 . . . . 0.0 112.025 -175.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.408 ' O ' ' HG2' ' A' ' 0' ' ' LYS . 35.7 t70 -115.96 -30.23 6.11 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.274 -0.57 . . . . 0.0 111.887 -179.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.67 86.88 5.84 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' -2' ' ' ASP . 22.3 pttm -137.82 10.27 2.87 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.361 -166.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -170.95 81.57 0.09 OUTLIER Glycine 0 CA--C 1.477 -2.313 0 N-CA-C 110.058 -1.217 . . . . 0.0 110.058 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' B' ' 35' ' ' ILE . 56.6 mt -89.36 122.89 41.24 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 -177.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -95.62 95.89 8.66 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.913 0.863 . . . . 0.0 111.487 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.4 m -111.34 -164.19 0.9 Allowed 'General case' 0 C--N 1.274 -2.684 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.451 175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.524 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 24.6 p -151.96 156.57 40.31 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.0 t -83.58 116.82 28.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.8 mmtt -109.62 173.96 6.09 Favored 'General case' 0 C--N 1.277 -2.544 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -106.04 116.29 31.69 Favored 'General case' 0 C--N 1.298 -1.671 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 -178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -103.24 97.27 7.37 Favored 'General case' 0 C--N 1.297 -1.688 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.48 -117.27 4.93 Favored Glycine 0 N--CA 1.43 -1.734 0 N-CA-C 108.891 -1.684 . . . . 0.0 108.891 -176.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -114.9 29.41 8.05 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 122.967 -0.137 . . . . 0.0 111.133 173.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 61.7 m -137.49 134.47 18.54 Favored Pre-proline 0 N--CA 1.421 -1.905 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.477 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 11.0 Cg_endo -67.32 129.98 21.53 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.637 2.225 . . . . 0.0 111.228 175.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.32 140.02 39.33 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.331 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.8 t -106.15 136.41 40.72 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 73.5 mtt-85 -79.57 121.82 25.73 Favored 'General case' 0 N--CA 1.439 -1.004 0 O-C-N 123.711 0.632 . . . . 0.0 110.141 177.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.6 mp -99.85 129.41 28.67 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 176.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.404 ' HG3' HD13 ' A' ' 2' ' ' ILE . 19.3 Cg_endo -66.76 136.65 42.78 Favored 'Trans proline' 0 C--O 1.251 1.17 0 C-N-CA 122.216 1.944 . . . . 0.0 111.886 178.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -58.0 -29.97 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.605 0.762 . . . . 0.0 111.228 -178.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -57.54 -35.93 70.95 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 124.154 0.982 . . . . 0.0 111.082 178.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -85.49 -32.55 22.17 Favored 'General case' 0 CA--C 1.478 -1.803 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.425 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 83.6 mmm -53.68 -51.94 61.6 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.306 174.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 81.5 mt-30 -67.0 -34.46 77.8 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 114.836 -1.075 . . . . 0.0 110.991 176.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.95 -35.08 79.49 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-O 121.381 0.61 . . . . 0.0 111.777 -174.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.45 4.85 24.74 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.936 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.6 t30 50.78 63.02 2.4 Favored 'General case' 0 C--N 1.317 -0.844 0 C-N-CA 126.256 1.823 . . . . 0.0 113.164 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.42 156.03 32.26 Favored 'General case' 0 N--CA 1.399 -2.987 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -126.62 -178.77 4.49 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -71.7 142.75 15.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.341 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.4 t70 79.89 10.97 1.25 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.333 1.853 . . . . 0.0 110.837 178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.48 128.91 35.55 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -70.07 146.08 51.2 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 124.048 0.843 . . . . 0.0 111.583 -175.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' HG23 ' A' ' 47' ' ' VAL . 3.5 m -136.46 151.35 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.319 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.36 -178.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -95.08 112.44 24.15 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-N 113.83 -1.532 . . . . 0.0 110.044 176.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' B' ' 2' ' ' ILE . 3.5 mp -92.13 100.18 10.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.23 136.9 42.98 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tp -97.78 140.48 32.1 Favored 'General case' 1 N--CA 1.373 -4.313 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -148.78 116.56 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.28 -2.413 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 53.18 38.39 27.42 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 124.134 0.974 . . . . 0.0 112.597 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.51 30.5 66.59 Favored Glycine 0 N--CA 1.443 -0.841 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.036 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -124.5 148.93 47.41 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 mt -92.38 105.25 17.48 Favored 'General case' 0 CA--C 1.484 -1.579 0 CA-C-O 122.093 0.949 . . . . 0.0 108.556 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.407 HD12 HD12 ' B' ' 43' ' ' ILE . 22.0 mm -100.29 105.86 18.32 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.18 0 CA-C-N 114.081 -1.418 . . . . 0.0 108.269 -176.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -96.77 108.69 21.78 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.496 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 46' ' ' PRO . 42.8 tt0 -116.42 114.36 40.48 Favored Pre-proline 0 C--N 1.295 -1.8 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.172 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 45' ' ' GLU . 12.2 Cg_endo -62.11 146.05 96.23 Favored 'Trans proline' 0 N--CA 1.423 -2.623 0 C-N-CA 123.436 2.757 . . . . 0.0 110.326 176.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.401 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.6 t -90.76 106.73 17.76 Favored 'Isoleucine or valine' 0 C--N 1.259 -3.358 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -57.08 136.05 56.35 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.494 -1.23 . . . . 0.0 113.597 -171.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm -102.31 95.92 6.62 Favored 'General case' 0 N--CA 1.406 -2.664 0 N-CA-C 104.932 -2.247 . . . . 0.0 104.932 173.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 . . . . . 0 C--N 1.283 -2.299 0 CA-C-N 114.519 -1.219 . . . . 0.0 108.395 -171.505 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 57.3 t30 . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -97.17 173.42 7.24 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.985 0.421 . . . . 0.0 110.193 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 60.2 mttm -106.57 165.16 11.49 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.68 110.62 19.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -78.06 125.58 29.55 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 41.8 m80 74.44 105.95 0.07 Allowed 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.837 1.336 . . . . 0.0 110.154 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 47.0 m80 -56.14 -69.74 0.14 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -113.6 -1.82 13.97 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 120.244 -0.582 . . . . 0.0 111.817 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -82.91 71.64 10.0 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 122.331 1.063 . . . . 0.0 109.185 177.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -113.75 112.44 23.43 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.848 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 88.4 mtp -69.83 100.7 1.58 Allowed 'General case' 0 N--CA 1.434 -1.265 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.768 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 23.2 t -179.94 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 -176.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.49 -14.48 61.67 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.541 1.537 . . . . 0.0 112.055 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.64 -64.05 1.07 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.801 -174.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -116.37 -28.87 6.36 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.582 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -82.92 91.26 7.09 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -141.02 -1.77 1.36 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 114.403 -1.271 . . . . 0.0 112.385 -165.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -159.08 79.18 0.17 Allowed Glycine 0 CA--C 1.489 -1.58 0 N-CA-C 110.285 -1.126 . . . . 0.0 110.285 -176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' ' 35' ' ' ILE . 35.8 mt -87.02 121.81 38.21 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.809 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -94.32 97.39 10.19 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-O 121.72 0.771 . . . . 0.0 111.278 178.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 71.8 m -112.3 -162.54 0.8 Allowed 'General case' 0 C--N 1.283 -2.287 0 CA-C-N 114.533 -1.212 . . . . 0.0 107.84 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.582 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 11.9 p -153.57 155.64 36.51 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -179.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -82.41 119.46 31.99 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.305 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.582 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 73.4 mmtt -113.46 170.73 8.02 Favored 'General case' 0 C--N 1.278 -2.539 0 C-N-CA 120.031 -0.668 . . . . 0.0 109.326 -178.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -102.47 116.89 33.54 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.059 0.457 . . . . 0.0 111.406 -177.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -106.67 98.58 8.23 Favored 'General case' 0 C--N 1.312 -1.059 0 N-CA-C 106.658 -1.608 . . . . 0.0 106.658 177.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.1 -121.95 7.29 Favored Glycine 0 N--CA 1.428 -1.867 0 N-CA-C 107.707 -2.157 . . . . 0.0 107.707 -175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -111.23 30.63 6.74 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 117.292 0.546 . . . . 0.0 111.413 172.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 49.0 m -133.87 132.73 21.64 Favored Pre-proline 0 N--CA 1.412 -2.372 0 O-C-N 121.854 -0.529 . . . . 0.0 109.88 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.479 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 11.5 Cg_endo -66.78 129.25 20.54 Favored 'Trans proline' 0 C--N 1.315 -1.223 0 C-N-CA 122.447 2.098 . . . . 0.0 110.876 173.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.15 140.2 41.69 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -178.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 86.6 t -106.51 136.79 39.92 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -80.8 120.87 25.23 Favored 'General case' 0 C--N 1.316 -0.88 0 O-C-N 123.502 0.502 . . . . 0.0 110.431 177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.477 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.5 mp -98.74 128.91 31.21 Favored Pre-proline 0 C--N 1.303 -1.417 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -65.87 137.13 47.98 Favored 'Trans proline' 0 C--O 1.25 1.094 0 C-N-CA 121.985 1.79 . . . . 0.0 111.655 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.452 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.83 -29.68 68.42 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.446 0.698 . . . . 0.0 110.907 -178.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 2.4 m -58.65 -34.19 70.92 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.122 0.969 . . . . 0.0 110.909 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -86.61 -32.02 20.84 Favored 'General case' 0 CA--C 1.48 -1.717 0 CA-C-O 121.157 0.503 . . . . 0.0 110.397 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 85.5 mmm -54.03 -51.06 65.19 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 114.436 -1.256 . . . . 0.0 109.272 173.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.452 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 80.3 mt-30 -67.64 -32.83 73.79 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-N 114.651 -1.158 . . . . 0.0 111.044 177.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.61 -35.28 80.36 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.44 0.638 . . . . 0.0 111.97 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 18.8 mt -108.86 4.8 23.89 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.241 -176.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 58.3 t30 50.52 60.97 3.47 Favored 'General case' 0 C--O 1.248 0.987 0 C-N-CA 125.647 1.579 . . . . 0.0 113.049 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -119.19 154.59 33.11 Favored 'General case' 0 N--CA 1.396 -3.138 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -129.2 -175.6 3.61 Favored 'General case' 0 C--N 1.286 -2.171 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 42.2 mm -73.01 138.66 20.93 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.042 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 37.4 t70 77.5 19.18 1.25 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 125.971 1.708 . . . . 0.0 110.854 179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -90.11 128.56 36.35 Favored 'General case' 0 C--O 1.25 1.104 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -72.89 146.77 45.92 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 123.616 0.572 . . . . 0.0 110.778 -176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.24 150.36 27.81 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.252 0 C-N-CA 120.19 -0.604 . . . . 0.0 111.191 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.5 mtpp -92.45 113.35 25.6 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 114.248 -1.342 . . . . 0.0 110.1 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.6 mp -93.74 102.09 13.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 171.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.32 138.12 44.11 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.94 139.59 33.55 Favored 'General case' 0 N--CA 1.38 -3.968 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 98.4 t -146.34 112.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.273 -2.761 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 53.9 40.95 32.13 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 124.045 0.938 . . . . 0.0 110.912 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 68.65 36.76 83.7 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 115.115 -0.948 . . . . 0.0 113.321 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -128.47 148.62 50.74 Favored 'General case' 0 C--N 1.308 -1.226 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -91.53 103.97 16.52 Favored 'General case' 0 CA--C 1.488 -1.431 0 CA-C-O 121.924 0.868 . . . . 0.0 109.24 176.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.407 HD12 HD12 ' A' ' 43' ' ' ILE . 20.5 mm -99.91 104.21 15.8 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.823 0 CA-C-N 114.338 -1.301 . . . . 0.0 108.447 -177.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mp -95.77 108.2 20.74 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.701 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.317 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' B' ' 46' ' ' PRO . 41.6 tt0 -116.19 113.43 41.39 Favored Pre-proline 0 C--N 1.297 -1.709 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.719 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' B' ' 45' ' ' GLU . 12.1 Cg_endo -61.73 149.37 90.26 Favored 'Trans proline' 0 N--CA 1.428 -2.363 0 C-N-CA 123.459 2.772 . . . . 0.0 110.071 177.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 21.7 t -92.33 108.1 19.77 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.247 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -59.63 134.09 56.7 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 114.418 -1.265 . . . . 0.0 113.038 -172.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -96.77 96.59 8.68 Favored 'General case' 0 N--CA 1.409 -2.485 0 N-CA-C 104.806 -2.294 . . . . 0.0 104.806 173.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.292 -1.915 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -172.204 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -73.05 115.58 12.54 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.499 0.666 . . . . 0.0 112.099 -176.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -92.2 105.85 17.98 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 105.284 -2.117 . . . . 0.0 105.284 167.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . 0.449 HG21 ' HA ' ' A' ' -7' ' ' HIS . 19.4 m -49.68 132.44 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -176.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 22.9 p-80 -98.09 28.18 4.15 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.285 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 25.6 m-70 -113.52 137.28 51.78 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 28.0 m170 -91.54 145.29 24.73 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.092 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 42.6 m80 74.32 -39.8 0.43 Allowed 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.097 1.359 . . . . 0.0 111.224 -175.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -83.99 84.86 7.44 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 174.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . 0.449 ' HA ' HG21 ' A' ' -13' ' ' VAL . 60.5 m-70 -117.22 125.84 51.79 Favored 'General case' 0 CA--C 1.485 -1.539 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.011 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -145.16 20.44 1.58 Allowed 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 14.8 m -123.85 -27.78 3.9 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.463 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -85.7 -21.55 28.25 Favored 'General case' 0 C--N 1.309 -1.155 0 CA-C-O 121.605 0.717 . . . . 0.0 110.053 -178.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -55.95 -45.8 78.73 Favored 'General case' 0 C--N 1.305 -1.327 0 C-N-CA 126.149 1.78 . . . . 0.0 114.568 -172.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -85.47 -5.56 59.28 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -92.21 94.6 9.27 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 173.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -80.2 -42.8 22.64 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.307 -175.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' HD2' ' A' ' 3' ' ' HIS . . . 57.08 71.45 0.74 Allowed Glycine 0 N--CA 1.441 -0.972 0 O-C-N 123.955 0.784 . . . . 0.0 112.519 -179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.7 mt -76.36 108.04 8.37 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.939 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.437 ' HD2' ' O ' ' A' ' 1' ' ' GLY . 16.8 m-70 -84.48 120.9 26.85 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.694 0.759 . . . . 0.0 110.874 -177.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.512 ' OG ' HG22 ' B' ' 33' ' ' VAL . 84.5 p -109.96 -153.93 0.53 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 115.201 -0.908 . . . . 0.0 109.377 -177.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 m -157.48 133.86 9.72 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 175.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 41.5 t -88.29 119.76 36.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.16 167.58 10.7 Favored 'General case' 0 C--N 1.275 -2.645 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -102.24 121.6 42.56 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.187 -0.605 . . . . 0.0 110.372 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -113.52 101.98 9.86 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.49 -120.64 6.56 Favored Glycine 0 N--CA 1.414 -2.804 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -103.06 17.33 24.31 Favored 'General case' 0 C--N 1.284 -2.266 0 C-N-CA 120.504 -0.479 . . . . 0.0 111.641 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.1 p -137.31 137.11 21.6 Favored Pre-proline 0 N--CA 1.411 -2.423 0 C-N-CA 118.726 -1.19 . . . . 0.0 111.79 -171.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -60.02 121.3 9.59 Favored 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 122.81 2.34 . . . . 0.0 109.882 170.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.7 134.17 48.39 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-O 121.29 0.567 . . . . 0.0 109.612 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.2 t -104.37 139.08 26.36 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.951 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -84.0 104.43 14.07 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -88.05 133.04 38.03 Favored Pre-proline 0 C--N 1.308 -1.232 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 126.72 19.99 Favored 'Trans proline' 0 C--O 1.251 1.135 0 C-N-CA 121.941 1.761 . . . . 0.0 110.731 177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -60.74 -25.19 66.29 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.272 0.629 . . . . 0.0 110.405 -178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -55.87 -36.33 67.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.458 1.103 . . . . 0.0 110.789 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -81.96 -34.49 29.74 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 121.13 0.49 . . . . 0.0 110.792 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 80.3 mmm -55.57 -48.29 75.02 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 114.649 -1.159 . . . . 0.0 109.054 173.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 96.8 mt-30 -63.56 -37.2 86.41 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 114.452 -1.249 . . . . 0.0 111.06 175.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.23 -35.11 75.82 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.489 -175.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.2 mt -99.04 1.25 45.15 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.403 0.621 . . . . 0.0 111.311 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 67.01 27.36 8.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 173.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.09 160.51 14.26 Favored 'General case' 0 N--CA 1.428 -1.542 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.03 179.45 5.03 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 122.085 -0.385 . . . . 0.0 110.194 -178.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.1 mm -72.78 142.91 14.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 174.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 79.77 14.59 0.93 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 125.299 1.44 . . . . 0.0 112.101 -176.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.431 ' O ' ' HA ' ' B' ' 5' ' ' SER . 12.5 t0 -91.97 173.21 7.96 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.333 -1.728 . . . . 0.0 106.333 175.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' B' ' 4' ' ' SER . 30.3 tt0 -118.78 135.41 54.53 Favored 'General case' 0 C--N 1.271 -2.834 0 C-N-CA 124.017 0.927 . . . . 0.0 109.6 -173.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.544 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.5 m -129.22 157.86 41.95 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.746 0 C-N-CA 119.548 -0.861 . . . . 0.0 111.273 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HG3' HG22 ' A' ' 47' ' ' VAL . 9.5 mtmp? -99.64 123.0 43.48 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.506 175.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.35 112.32 31.29 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.853 0 N-CA-C 104.456 -2.424 . . . . 0.0 104.456 169.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -124.83 126.36 45.47 Favored 'General case' 0 C--N 1.286 -2.173 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -176.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -87.99 131.93 34.44 Favored 'General case' 0 N--CA 1.383 -3.808 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 -177.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 38.7 t -143.02 108.27 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.287 -2.126 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.052 -177.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 63.42 26.82 15.05 Favored 'General case' 0 N--CA 1.507 2.388 0 CA-C-O 122.768 1.27 . . . . 0.0 110.876 174.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.48 7.28 82.51 Favored Glycine 0 C--N 1.303 -1.303 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.41 -178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HD2' ' HG2' ' B' ' 45' ' ' GLU . 11.1 tppt? -102.59 141.72 34.94 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 38.4 mt -91.5 104.61 17.09 Favored 'General case' 0 CA--C 1.48 -1.713 0 CA-C-O 122.047 0.927 . . . . 0.0 109.168 175.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.6 mm -97.9 107.15 19.71 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.856 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.29 -179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.58 124.95 54.46 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.104 0 CA-C-N 114.484 -1.235 . . . . 0.0 108.819 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' B' ' 41' ' ' LYS . 51.7 mt-10 -130.05 148.49 69.88 Favored Pre-proline 0 C--N 1.293 -1.854 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -88.72 165.98 6.14 Favored 'Trans proline' 1 N--CA 1.4 -4.022 0 N-CA-C 109.167 -1.128 . . . . 0.0 109.167 179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' A' ' 33' ' ' VAL . 11.2 t -107.84 103.85 16.14 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.578 0 N-CA-C 105.794 -1.928 . . . . 0.0 105.794 177.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -80.36 124.45 28.88 Favored 'General case' 0 C--N 1.28 -2.415 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.921 -173.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.76 96.65 9.8 Favored 'General case' 0 N--CA 1.421 -1.92 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 176.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.267 -2.979 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 -175.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 . . . . . 0 C--O 1.238 0.488 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -68.37 109.09 3.49 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -174.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -87.66 105.56 17.44 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 168.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . 0.415 HG21 ' HA ' ' B' ' -7' ' ' HIS . 23.0 m -50.61 133.91 10.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -175.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -99.39 30.89 3.33 Favored 'General case' 0 C--N 1.307 -1.277 0 CA-C-N 113.99 -1.459 . . . . 0.0 108.448 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -116.03 136.36 53.1 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 114.103 -1.408 . . . . 0.0 107.238 -178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -92.46 146.12 23.93 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 120.435 -0.506 . . . . 0.0 109.902 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 39.2 m80 77.0 -48.99 0.54 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.428 1.491 . . . . 0.0 110.472 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -78.14 85.45 4.33 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 175.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . 0.415 ' HA ' HG21 ' B' ' -13' ' ' VAL . 53.6 m-70 -116.25 123.93 48.94 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.726 179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -138.86 15.91 2.67 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 176.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 20.2 m -119.62 -29.79 4.98 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.5 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -85.81 -21.05 28.31 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 121.475 0.655 . . . . 0.0 110.486 -177.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -56.66 -47.24 80.23 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 126.29 1.836 . . . . 0.0 114.126 -170.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -82.8 -16.73 46.7 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 -175.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -79.12 90.06 4.85 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 173.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -73.68 -44.05 57.71 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.071 -175.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 60.01 74.33 0.38 Allowed Glycine 0 N--CA 1.441 -0.978 0 O-C-N 123.826 0.704 . . . . 0.0 112.61 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.03 108.85 13.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 178.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -85.47 121.71 28.57 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 121.401 0.619 . . . . 0.0 110.775 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.544 ' OG ' HG22 ' A' ' 33' ' ' VAL . 62.3 p -111.19 -154.8 0.55 Allowed 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 114.857 -1.065 . . . . 0.0 109.304 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 50.9 m -156.01 134.59 11.69 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 173.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.54 116.94 30.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.57 166.62 11.34 Favored 'General case' 0 C--N 1.273 -2.723 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -102.51 124.51 48.19 Favored 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 119.986 -0.686 . . . . 0.0 109.999 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 16.3 t90 -114.79 101.1 8.74 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.79 -121.09 8.43 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 108.633 -1.787 . . . . 0.0 108.633 -176.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -102.39 20.7 16.45 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 177.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 56.6 p -140.03 136.22 17.0 Favored Pre-proline 0 N--CA 1.414 -2.226 0 C-N-CA 118.205 -1.398 . . . . 0.0 111.694 -175.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -59.37 123.23 12.95 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.832 2.355 . . . . 0.0 109.783 171.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.81 133.09 46.74 Favored 'General case' 0 N--CA 1.413 -2.277 0 CA-C-O 121.279 0.561 . . . . 0.0 109.686 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.88 138.67 27.44 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.105 0 N-CA-C 107.918 -1.142 . . . . 0.0 107.918 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -84.08 106.08 15.44 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 176.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mp -87.8 134.36 35.68 Favored Pre-proline 0 C--N 1.304 -1.395 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.41 -178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -61.52 124.03 13.89 Favored 'Trans proline' 0 N--CA 1.45 -1.039 0 C-N-CA 122.143 1.895 . . . . 0.0 111.033 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.418 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -59.46 -25.69 64.6 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 123.654 0.782 . . . . 0.0 110.827 -179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 7.5 m -56.06 -36.09 67.67 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 123.47 0.708 . . . . 0.0 110.943 176.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.21 -34.77 32.02 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.132 0.492 . . . . 0.0 110.972 -178.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.4 mmm -55.13 -48.91 73.0 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.206 173.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 96.7 mt-30 -61.93 -39.63 92.71 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 114.163 -1.381 . . . . 0.0 110.55 175.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.56 -38.07 83.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.829 -173.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 66.3 mt -94.54 -3.41 49.85 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 121.411 0.624 . . . . 0.0 111.552 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 45.4 m-80 63.46 54.72 1.9 Allowed 'General case' 0 C--O 1.249 1.068 0 C-N-CA 125.03 1.332 . . . . 0.0 113.881 177.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 158.02 34.73 Favored 'General case' 0 N--CA 1.403 -2.817 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 172.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -125.28 -179.25 4.51 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.19 143.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 78.74 15.87 1.12 Allowed 'General case' 0 CA--C 1.498 -1.045 0 C-N-CA 125.398 1.479 . . . . 0.0 111.944 -178.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -94.75 167.07 11.67 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 176.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 4' ' ' SER . 38.0 tt0 -110.04 137.17 48.18 Favored 'General case' 0 C--N 1.268 -2.976 0 C-N-CA 123.461 0.704 . . . . 0.0 110.129 -174.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.512 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.7 m -130.51 155.63 41.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 120.014 -0.675 . . . . 0.0 110.584 178.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.405 ' HZ2' ' HB2' ' B' ' 34' ' ' LYS . 9.7 mtmp? -97.1 130.64 44.35 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-O 120.929 0.395 . . . . 0.0 110.554 175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.5 mp -104.71 111.31 33.75 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 N-CA-C 106.136 -1.801 . . . . 0.0 106.136 169.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.98 132.5 56.63 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 121.005 0.431 . . . . 0.0 110.72 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -94.82 125.88 39.78 Favored 'General case' 1 N--CA 1.378 -4.04 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 177.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 49.9 t -142.05 107.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.179 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.3 t70 64.68 31.06 12.27 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-O 122.642 1.211 . . . . 0.0 110.372 175.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.46 11.1 85.23 Favored Glycine 0 C--N 1.31 -0.9 0 CA-C-N 114.879 -1.055 . . . . 0.0 112.476 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' A' ' 45' ' ' GLU . 11.1 tppt? -106.12 142.18 36.24 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.4 mt -91.5 105.18 17.56 Favored 'General case' 0 CA--C 1.483 -1.633 0 CA-C-O 121.844 0.83 . . . . 0.0 109.58 175.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 36.7 mm -98.8 106.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.801 0 CA-C-N 113.952 -1.476 . . . . 0.0 108.353 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.8 124.19 54.26 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.169 0 CA-C-N 114.643 -1.162 . . . . 0.0 108.867 178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.427 ' HG2' ' HD2' ' A' ' 41' ' ' LYS . 52.0 mt-10 -128.98 148.05 67.34 Favored Pre-proline 0 C--N 1.294 -1.844 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -87.05 168.59 7.78 Favored 'Trans proline' 1 N--CA 1.4 -4.005 0 N-CA-C 108.8 -1.269 . . . . 0.0 108.8 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.444 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.7 t -108.96 107.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.257 -3.446 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -82.17 126.04 31.6 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.179 -174.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.28 96.15 10.45 Favored 'General case' 0 N--CA 1.417 -2.115 0 N-CA-C 105.658 -1.979 . . . . 0.0 105.658 176.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 C--N 1.283 -2.284 0 CA-C-N 114.304 -1.316 . . . . 0.0 107.851 -174.253 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 39.0 t30 . . . . . 0 N--CA 1.468 0.443 0 CA-C-O 120.296 0.093 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 60.05 91.95 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.68 1.192 . . . . 0.0 111.473 177.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -129.18 90.62 3.05 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -179.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 36.0 m -99.36 -4.04 9.46 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . 0.575 ' HA ' ' HB2' ' A' ' -9' ' ' HIS . 41.1 m80 62.96 -174.71 0.15 Allowed 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 73.74 -53.5 0.69 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 125.03 1.332 . . . . 0.0 111.337 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -113.87 26.56 10.24 Favored 'General case' 0 C--N 1.309 -1.152 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . 0.575 ' HB2' ' HA ' ' A' ' -12' ' ' HIS . 57.2 t-80 -80.44 98.19 7.42 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.855 -179.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -117.39 -46.9 2.67 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.746 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . 0.538 ' NE2' ' HA ' ' A' ' -5' ' ' SER . 86.6 t60 -134.34 120.06 19.43 Favored 'General case' 0 N--CA 1.43 -1.444 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.061 -175.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 66.9 mtm -81.37 -9.95 59.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.746 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . 0.538 ' HA ' ' NE2' ' A' ' -7' ' ' HIS . 8.6 t 67.19 67.61 0.4 Allowed 'General case' 0 N--CA 1.447 -0.584 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 -173.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.02 -17.55 26.23 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 113.319 -1.764 . . . . 0.0 113.458 -169.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -105.99 -17.82 14.22 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.644 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -116.63 -3.86 11.75 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -173.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -64.15 137.06 57.77 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.281 0.562 . . . . 0.0 110.527 -178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -86.12 5.43 33.85 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -174.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 140.79 119.12 1.55 Allowed Glycine 0 N--CA 1.429 -1.803 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.896 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 67.9 mt -87.58 109.73 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -86.09 134.65 33.81 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.256 0.55 . . . . 0.0 110.874 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.4 m -149.54 -164.99 2.16 Favored 'General case' 0 C--N 1.286 -2.188 0 C-N-CA 124.385 1.074 . . . . 0.0 108.236 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.46 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 15.8 p -150.19 160.65 43.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 118.236 0.471 . . . . 0.0 110.201 -177.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 36.9 t -89.49 123.21 41.59 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 177.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 74.9 mmtt -110.99 175.84 5.26 Favored 'General case' 0 C--N 1.271 -2.824 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.1 ttm-85 -107.22 119.64 39.94 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.998 -0.439 . . . . 0.0 109.905 -177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.1 t90 -114.18 97.96 6.66 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 106.145 -1.798 . . . . 0.0 106.145 178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.37 -129.39 17.17 Favored Glycine 0 N--CA 1.425 -2.064 0 N-CA-C 108.564 -1.814 . . . . 0.0 108.564 -174.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -96.92 18.16 15.25 Favored 'General case' 0 C--N 1.291 -1.965 0 CA-C-O 121.068 0.461 . . . . 0.0 109.988 177.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 65.0 p -129.08 130.42 23.41 Favored Pre-proline 0 N--CA 1.416 -2.154 0 O-C-N 120.841 -1.162 . . . . 0.0 111.414 -174.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -61.84 124.69 14.99 Favored 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.616 2.211 . . . . 0.0 109.707 171.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -135.97 138.06 41.91 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.205 0.526 . . . . 0.0 110.537 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 46.7 t -104.61 139.38 25.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -83.84 104.94 14.35 Favored 'General case' 0 C--N 1.316 -0.854 0 O-C-N 123.44 0.462 . . . . 0.0 109.893 177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.5 mp -87.0 130.55 47.84 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -59.59 132.56 46.47 Favored 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.341 2.027 . . . . 0.0 111.545 178.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.488 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.3 m -56.22 -40.85 74.72 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 123.294 0.637 . . . . 0.0 110.13 175.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.16 -36.03 61.56 Favored 'General case' 0 CA--C 1.483 -1.632 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.103 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.3 mmm -53.46 -46.55 69.96 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.776 172.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -71.77 -28.92 63.96 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.608 176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.99 -28.34 57.8 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.055 0.455 . . . . 0.0 111.579 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.7 mt -100.46 -10.37 21.18 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-O 121.643 0.735 . . . . 0.0 109.969 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.3 t30 61.5 67.49 0.77 Allowed 'General case' 0 C--O 1.247 0.928 0 C-N-CA 125.761 1.624 . . . . 0.0 113.294 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.4 pt? -134.42 164.16 28.05 Favored 'General case' 0 N--CA 1.405 -2.713 0 CA-C-N 114.193 -1.367 . . . . 0.0 107.727 172.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.406 HD22 ' C ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -130.11 -177.13 4.17 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 177.388 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.1 mm -66.34 140.64 19.18 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-O 121.291 0.567 . . . . 0.0 110.581 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 32.0 t0 73.67 20.02 3.12 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 126.821 2.048 . . . . 0.0 111.299 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -90.14 146.87 23.96 Favored 'General case' 0 N--CA 1.418 -2.043 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -85.68 136.2 33.46 Favored 'General case' 0 C--N 1.267 -3.006 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.355 -172.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.478 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.0 m -130.28 157.96 42.74 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.105 -178.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG3' HG22 ' A' ' 47' ' ' VAL . 40.0 mtmt -102.31 133.97 46.35 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.208 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.0 mp -103.35 100.31 10.16 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 169.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -100.83 135.16 42.71 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 177.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD21 HD21 ' B' ' 25' ' ' LEU . 2.5 tm? -99.36 129.52 45.57 Favored 'General case' 0 N--CA 1.388 -3.551 0 N-CA-C 107.486 -1.301 . . . . 0.0 107.486 -178.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -144.15 119.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.49 -178.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 58.11 21.12 7.61 Favored 'General case' 0 N--CA 1.508 2.473 0 C-N-CA 124.977 1.311 . . . . 0.0 113.013 174.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.38 11.75 66.18 Favored Glycine 0 C--N 1.295 -1.738 0 C-N-CA 119.734 -1.222 . . . . 0.0 113.213 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.88 154.35 34.48 Favored 'General case' 0 C--O 1.251 1.132 0 CA-C-N 117.988 0.894 . . . . 0.0 109.212 172.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.407 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 29.5 mt -89.02 115.7 26.77 Favored 'General case' 0 CA--C 1.482 -1.663 0 CA-C-O 121.744 0.783 . . . . 0.0 109.516 -178.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.7 mm -103.25 102.89 14.29 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.218 0 CA-C-N 114.304 -1.316 . . . . 0.0 108.096 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 62.9 mt -100.85 104.12 15.78 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.978 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.822 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -111.93 136.17 21.23 Favored Pre-proline 0 C--N 1.278 -2.526 0 N-CA-C 105.516 -2.031 . . . . 0.0 105.516 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -79.35 168.12 20.46 Favored 'Trans proline' 0 N--CA 1.413 -3.219 0 C-N-CA 120.774 0.983 . . . . 0.0 109.624 -175.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.4 t -101.86 115.67 44.08 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.154 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -78.04 149.7 33.95 Favored 'General case' 0 N--CA 1.418 -2.06 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.368 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -110.23 104.72 13.58 Favored 'General case' 0 C--N 1.266 -3.062 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--O 1.248 0.996 0 O-C-N 125.291 1.619 . . . . 0.0 107.621 -174.538 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 45.0 t30 . . . . . 0 N--CA 1.461 0.086 0 N-CA-C 110.708 -0.108 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 63.11 90.02 0.08 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.706 1.202 . . . . 0.0 112.213 177.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . 0.6 ' HE2' ' NE2' ' B' ' -12' ' ' HIS . 86.0 tttt -127.81 93.63 3.74 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 -179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 29.9 m -97.46 -16.84 6.97 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 CA-C-N 115.994 -0.548 . . . . 0.0 112.101 -176.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . 0.6 ' NE2' ' HE2' ' B' ' -14' ' ' LYS . 40.3 m80 70.26 -179.34 0.23 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.594 0.757 . . . . 0.0 111.607 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 76.99 -46.27 0.5 Allowed 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 125.059 1.343 . . . . 0.0 110.835 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -119.16 28.14 8.42 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 175.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . 0.513 ' HB2' ' HA ' ' B' ' -12' ' ' HIS . 58.3 t-80 -84.86 93.36 8.49 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.362 -0.836 . . . . 0.0 108.968 -178.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -110.38 -40.31 4.69 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.227 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . 0.556 ' NE2' ' HA ' ' B' ' -5' ' ' SER . 86.4 t60 -141.47 129.22 21.65 Favored 'General case' 0 N--CA 1.424 -1.76 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 -176.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 69.7 mtm -87.62 -9.61 53.77 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 -179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . 0.556 ' HA ' ' NE2' ' B' ' -7' ' ' HIS . 8.9 t 66.06 64.68 0.53 Allowed 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 -172.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.07 -29.8 32.39 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 125.74 1.616 . . . . 0.0 113.105 -170.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -88.92 -24.29 22.5 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.505 -178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . 0.402 ' HB3' ' OG ' ' B' ' -5' ' ' SER . 31.0 t70 -108.62 -12.98 14.9 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 112.119 0.415 . . . . 0.0 112.119 -172.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -57.23 130.17 45.01 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 121.398 0.618 . . . . 0.0 111.628 -176.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -82.2 13.29 3.57 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 113.861 1.059 . . . . 0.0 113.861 -174.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . 133.67 117.21 1.77 Allowed Glycine 0 N--CA 1.425 -2.057 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.14 174.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 67.6 mt -87.02 107.71 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 176.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -85.02 134.37 34.22 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-O 121.304 0.573 . . . . 0.0 110.707 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 39.7 m -145.66 -165.46 2.2 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 124.34 1.056 . . . . 0.0 108.808 -179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.541 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 15.3 p -149.39 153.79 37.91 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-O 120.722 0.296 . . . . 0.0 110.553 -178.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 43.4 t -85.58 122.52 38.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.541 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 75.7 mmtt -110.66 176.38 5.06 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -109.13 119.73 40.4 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.785 -0.572 . . . . 0.0 110.13 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.5 t90 -113.37 96.89 6.14 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.94 -129.29 11.66 Favored Glycine 0 N--CA 1.42 -2.383 0 N-CA-C 107.919 -2.072 . . . . 0.0 107.919 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -95.85 11.14 34.77 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-O 120.989 0.423 . . . . 0.0 110.73 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 59.0 p -120.84 130.1 25.01 Favored Pre-proline 0 N--CA 1.418 -2.067 0 O-C-N 120.683 -1.261 . . . . 0.0 111.747 -175.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -60.97 125.7 17.76 Favored 'Trans proline' 0 N--CA 1.449 -1.093 0 C-N-CA 122.632 2.222 . . . . 0.0 109.887 171.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -137.64 139.42 40.27 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.16 0.505 . . . . 0.0 110.403 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.87 138.98 27.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -83.14 105.67 14.31 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 177.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.25 131.02 45.62 Favored Pre-proline 0 C--N 1.309 -1.187 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -60.53 130.97 35.73 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 122.277 1.985 . . . . 0.0 111.696 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.57 -27.85 68.02 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 123.432 0.693 . . . . 0.0 110.932 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 9.8 m -57.8 -39.07 76.67 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.304 177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.46 -35.26 53.99 Favored 'General case' 0 CA--C 1.484 -1.562 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.973 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 82.4 mmm -54.17 -46.56 72.35 Favored 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.807 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -67.82 -35.3 78.38 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.758 -1.11 . . . . 0.0 111.533 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.27 69.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.479 0.656 . . . . 0.0 111.965 -175.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.505 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 77.4 mt -93.37 -13.31 28.22 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.952 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.4 t30 66.05 66.57 0.49 Allowed 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.756 1.623 . . . . 0.0 112.368 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.505 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.4 pt? -134.11 165.2 25.62 Favored 'General case' 0 N--CA 1.404 -2.726 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.533 172.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.4 HD22 ' C ' ' B' ' 27' ' ' LEU . 0.9 OUTLIER -126.92 -178.71 4.5 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 123.558 0.743 . . . . 0.0 109.262 177.663 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -68.96 142.86 15.65 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 176.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 28.4 t70 78.56 7.72 2.25 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.583 1.953 . . . . 0.0 111.669 177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -82.77 139.73 33.42 Favored 'General case' 0 N--CA 1.422 -1.854 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -79.85 134.82 36.34 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.011 -173.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.466 ' HA ' HG23 ' B' ' 47' ' ' VAL . 2.8 m -131.2 154.63 40.94 Favored 'Isoleucine or valine' 0 C--O 1.248 1.013 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.451 ' HB2' ' HE3' ' B' ' 34' ' ' LYS . 41.1 mtmt -101.04 137.05 39.92 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-O 120.871 0.367 . . . . 0.0 110.47 175.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.1 mp -104.83 99.55 8.69 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.071 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 170.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -100.31 139.7 35.6 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.407 HD13 ' N ' ' B' ' 38' ' ' VAL . 2.1 tm? -102.75 130.16 49.62 Favored 'General case' 0 N--CA 1.383 -3.796 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 -177.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.407 ' N ' HD13 ' B' ' 37' ' ' LEU . 87.3 t -145.54 119.97 2.94 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.823 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.943 -178.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 57.71 21.08 6.97 Favored 'General case' 0 N--CA 1.504 2.237 0 C-N-CA 125.424 1.49 . . . . 0.0 113.831 175.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.71 14.59 65.04 Favored Glycine 0 C--N 1.286 -2.231 0 C-N-CA 119.324 -1.417 . . . . 0.0 113.085 -178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 155.79 35.4 Favored 'General case' 0 C--O 1.25 1.096 0 CA-C-N 117.674 0.737 . . . . 0.0 109.417 171.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 44' ' ' ILE . 72.4 mt -88.96 115.93 26.87 Favored 'General case' 0 CA--C 1.478 -1.804 0 CA-C-O 121.834 0.826 . . . . 0.0 110.137 -177.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 24.9 mm -103.34 101.73 12.63 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.24 0 CA-C-N 114.275 -1.33 . . . . 0.0 107.836 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.407 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 59.2 mt -100.07 104.64 16.4 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.888 0 CA-C-N 114.753 -1.112 . . . . 0.0 109.823 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.43 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 35.9 tt0 -112.72 136.04 21.58 Favored Pre-proline 0 C--N 1.279 -2.462 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 1.9 Cg_endo -79.18 168.73 20.01 Favored 'Trans proline' 0 N--CA 1.418 -2.961 0 C-N-CA 121.003 1.135 . . . . 0.0 109.496 -176.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.466 HG23 ' HA ' ' B' ' 33' ' ' VAL . 15.2 t -103.5 114.6 43.56 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.201 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.649 -177.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -75.01 150.32 39.0 Favored 'General case' 0 N--CA 1.423 -1.809 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.503 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -110.91 103.17 11.64 Favored 'General case' 0 C--N 1.268 -2.939 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 -178.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 C--N 1.312 -1.041 0 O-C-N 124.847 1.342 . . . . 0.0 108.366 -174.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 42.3 t30 . . . . . 0 CA--C 1.501 -0.908 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 62.9 m80 -76.77 103.39 6.71 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -94.74 -45.56 7.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.924 -176.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 47.7 t -72.17 -46.32 58.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -99.88 125.58 45.87 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -87.05 42.13 1.01 Allowed 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 177.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 35.7 t-80 -144.64 131.65 20.4 Favored 'General case' 0 N--CA 1.425 -1.688 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.636 -175.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -84.53 117.91 24.0 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -70.83 134.86 47.7 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.676 -178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -94.94 145.16 25.11 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.231 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 85.0 mtp -126.02 108.42 11.37 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 39.8 m -146.13 18.04 1.39 Allowed 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 122.343 1.068 . . . . 0.0 108.937 176.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -85.86 -24.77 26.57 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.852 -176.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.08 -22.15 62.15 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -172.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -71.94 -59.86 2.53 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -176.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -83.02 98.9 9.51 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.155 0.503 . . . . 0.0 110.074 -176.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -123.49 0.97 8.91 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.399 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -108.29 100.91 1.51 Allowed Glycine 0 N--CA 1.441 -1.006 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.2 mt -97.51 133.1 40.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -176.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -102.38 137.45 40.61 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' B' ' 32' ' ' GLU . 28.8 m -153.77 -165.6 2.17 Favored 'General case' 0 C--N 1.288 -2.107 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 177.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 p -144.4 154.88 43.44 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 46.3 t -77.95 122.17 32.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 177.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -113.78 167.69 10.42 Favored 'General case' 0 C--N 1.279 -2.468 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HE ' HG13 ' B' ' 29' ' ' ILE . 16.4 ttm180 -103.6 116.56 32.58 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -173.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -105.31 97.7 7.51 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.14 -130.09 11.12 Favored Glycine 0 N--CA 1.429 -1.784 0 N-CA-C 108.042 -2.023 . . . . 0.0 108.042 -173.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.4 p30 -98.3 17.67 18.19 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-N 117.289 0.544 . . . . 0.0 111.117 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.1 m -128.04 134.84 26.67 Favored Pre-proline 0 N--CA 1.413 -2.308 0 O-C-N 121.459 -0.776 . . . . 0.0 110.702 -172.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.48 ' HG3' ' HG3' ' B' ' 22' ' ' MET . 19.2 Cg_endo -68.21 134.63 32.0 Favored 'Trans proline' 0 C--N 1.31 -1.47 0 C-N-CA 123.111 2.541 . . . . 0.0 112.471 176.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -138.0 143.5 40.64 Favored 'General case' 0 N--CA 1.426 -1.636 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.412 HG23 HD13 ' B' ' 17' ' ' ILE . 88.0 t -102.68 131.69 50.35 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 177.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.6 ttt180 -84.92 131.05 34.55 Favored 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.443 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.414 HD13 HG23 ' B' ' 15' ' ' VAL . 2.3 mp -112.13 134.8 21.37 Favored Pre-proline 0 C--N 1.301 -1.509 0 C-N-CA 122.997 0.519 . . . . 0.0 109.92 179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -68.15 137.98 42.16 Favored 'Trans proline' 0 C--O 1.25 1.112 0 C-N-CA 121.845 1.697 . . . . 0.0 111.35 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -59.17 -26.2 64.58 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-O 121.192 0.52 . . . . 0.0 111.035 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.0 m -59.44 -39.96 85.26 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 123.54 0.736 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -77.16 -34.77 56.35 Favored 'General case' 0 CA--C 1.48 -1.724 0 CA-C-O 121.143 0.497 . . . . 0.0 110.744 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.51 ' HG3' ' HG3' ' B' ' 13' ' ' PRO . 83.2 mmm -55.86 -47.65 76.94 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.684 174.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 48.3 mt-30 -65.94 -34.13 77.41 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.86 174.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.32 -39.05 71.65 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.589 0.709 . . . . 0.0 111.365 -176.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 74.8 mt -93.51 -7.24 44.86 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.023 -178.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.2 t30 61.48 66.27 0.88 Allowed 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 124.821 1.248 . . . . 0.0 112.987 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 1.2 pt? -135.18 164.51 27.53 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.022 171.022 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.94 -169.87 2.45 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.42 HG13 ' HE ' ' B' ' 8' ' ' ARG . 50.4 mm -71.41 138.55 21.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 178.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.295 3.8 m-20 83.27 8.01 0.68 Allowed 'General case' 0 CA--C 1.489 -1.374 0 C-N-CA 126.084 1.754 . . . . 0.0 114.533 -179.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -77.26 125.05 28.7 Favored 'General case' 0 CA--C 1.49 -1.347 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' SER . 35.7 tt0 -67.21 137.06 55.92 Favored 'General case' 0 N--CA 1.416 -2.165 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.443 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.1 m -128.62 152.77 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-O 121.245 0.545 . . . . 0.0 110.762 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -95.94 113.03 24.61 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 114.444 -1.253 . . . . 0.0 110.795 175.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.95 97.4 6.12 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 N-CA-C 105.674 -1.972 . . . . 0.0 105.674 172.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.5 130.87 55.48 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 -175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.91 125.4 33.31 Favored 'General case' 0 N--CA 1.394 -3.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -144.87 121.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.665 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.971 -176.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 59.72 32.88 21.67 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.511 1.148 . . . . 0.0 111.231 174.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.38 2.42 87.52 Favored Glycine 0 N--CA 1.438 -1.198 0 CA-C-N 115.043 -0.981 . . . . 0.0 114.147 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.23 164.2 21.5 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 118.216 1.008 . . . . 0.0 111.122 177.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.2 mt -93.46 124.54 37.52 Favored 'General case' 0 CA--C 1.482 -1.664 0 CA-C-O 121.656 0.741 . . . . 0.0 109.29 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.456 HD12 HD12 ' B' ' 43' ' ' ILE . 23.1 mm -103.49 123.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.251 0 CA-C-N 114.558 -1.201 . . . . 0.0 107.977 -179.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.6 mm -104.03 105.56 18.67 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.506 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' HG22 ' A' ' 43' ' ' ILE . 49.3 mt-10 -116.25 147.24 39.03 Favored Pre-proline 0 C--N 1.293 -1.865 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -89.82 164.05 5.05 Favored 'Trans proline' 0 N--CA 1.401 -3.954 0 C-N-CA 120.991 1.127 . . . . 0.0 110.199 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.1 t -113.7 110.21 31.31 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.608 0 N-CA-C 105.457 -2.053 . . . . 0.0 105.457 178.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -73.99 134.49 43.09 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -173.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -85.96 97.0 10.01 Favored 'General case' 0 CA--C 1.483 -1.602 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.105 178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 . . . . . 0 C--N 1.274 -2.711 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 179.168 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 50.0 t30 . . . . . 0 CA--C 1.506 -0.717 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -77.54 100.84 6.24 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 175.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -92.6 -44.86 8.37 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.226 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 40.4 t -74.65 -43.68 47.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.966 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -177.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -101.61 121.18 41.53 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.97 -1.013 . . . . 0.0 108.629 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -86.8 58.19 4.92 Favored 'General case' 0 C--N 1.3 -1.554 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 176.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -158.67 137.32 11.05 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 -176.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -93.04 118.63 31.4 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -71.89 134.0 45.77 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.553 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -98.35 138.52 35.47 Favored 'General case' 0 C--N 1.308 -1.239 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.658 -177.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 90.1 mtp -119.36 108.37 14.51 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 19.1 m -143.6 12.51 1.71 Allowed 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 121.766 0.793 . . . . 0.0 109.003 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -85.72 -15.43 42.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.388 -175.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -77.14 -21.3 54.35 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.177 -173.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -71.29 -58.14 3.81 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.412 -174.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -87.47 108.47 19.03 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -132.29 4.14 4.01 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.003 -176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -109.3 106.65 2.26 Favored Glycine 0 N--CA 1.43 -1.722 0 N-CA-C 109.588 -1.405 . . . . 0.0 109.588 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 62.6 mt -103.48 130.08 54.41 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.067 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -177.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -97.44 136.75 37.43 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-O 120.995 0.426 . . . . 0.0 110.255 176.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 64.3 m -153.35 -165.9 2.28 Favored 'General case' 0 C--N 1.288 -2.069 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -147.61 150.12 33.83 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 -179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.1 118.78 20.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 178.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -110.63 167.91 9.86 Favored 'General case' 0 C--N 1.281 -2.397 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . 0.42 ' HE ' HG13 ' A' ' 29' ' ' ILE . 17.1 ttm180 -102.75 116.68 33.06 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -173.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 6.1 t90 -106.17 95.99 6.16 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.29 -125.53 7.03 Favored Glycine 0 N--CA 1.424 -2.166 0 N-CA-C 108.686 -1.766 . . . . 0.0 108.686 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -109.19 28.65 8.29 Favored 'General case' 0 C--N 1.292 -1.935 0 CA-C-N 117.259 0.529 . . . . 0.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 37.1 m -141.16 141.39 23.47 Favored Pre-proline 0 N--CA 1.409 -2.478 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 -176.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.51 ' HG3' ' HG3' ' A' ' 22' ' ' MET . 29.4 Cg_endo -72.89 136.07 24.5 Favored 'Trans proline' 0 C--N 1.312 -1.394 0 C-N-CA 123.464 2.776 . . . . 0.0 112.925 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -136.64 141.97 43.22 Favored 'General case' 0 N--CA 1.426 -1.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.041 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.414 HG23 HD13 ' A' ' 17' ' ' ILE . 78.3 t -101.04 131.59 48.41 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 177.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 31.2 ttt180 -85.66 129.31 34.86 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.896 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.412 HD13 HG23 ' A' ' 15' ' ' VAL . 2.2 mp -110.09 136.72 20.44 Favored Pre-proline 0 C--N 1.301 -1.516 0 C-N-CA 122.861 0.464 . . . . 0.0 109.869 179.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -70.13 139.48 39.06 Favored 'Trans proline' 0 C--O 1.25 1.079 0 C-N-CA 122.032 1.822 . . . . 0.0 111.146 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.34 -24.45 67.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.91 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 1.5 m -57.33 -42.87 82.75 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.606 0.763 . . . . 0.0 110.086 176.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -76.22 -33.37 59.24 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.398 0.618 . . . . 0.0 110.964 -178.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.48 ' HG3' ' HG3' ' A' ' 13' ' ' PRO . 85.1 mmm -56.72 -47.26 80.36 Favored 'General case' 0 C--N 1.287 -2.15 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.704 174.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -65.05 -37.46 87.64 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.261 173.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.73 81.21 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -174.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 65.3 mt -96.17 -7.44 35.8 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.715 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 59.3 t30 61.89 65.99 0.86 Allowed 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 125.206 1.403 . . . . 0.0 113.252 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.44 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.1 pt? -134.56 165.02 26.17 Favored 'General case' 0 N--CA 1.409 -2.508 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.629 172.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -134.3 -166.3 1.78 Allowed 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.532 HG13 ' HE ' ' A' ' 8' ' ' ARG . 51.1 mm -74.97 140.44 17.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 178.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . 0.286 7.9 m-20 82.76 5.04 0.97 Allowed 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 125.563 1.545 . . . . 0.0 114.218 -177.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -75.37 122.43 23.75 Favored 'General case' 0 CA--C 1.489 -1.366 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 172.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' SER . 26.8 tt0 -70.44 136.21 49.34 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 114.734 -1.121 . . . . 0.0 108.683 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 3.3 m -129.53 151.55 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.53 0 CA-C-O 121.063 0.458 . . . . 0.0 110.771 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -93.03 115.57 28.23 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.452 175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.0 mp -99.83 97.41 5.82 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.393 0 N-CA-C 105.283 -2.117 . . . . 0.0 105.283 172.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.9 132.38 54.21 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -175.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -85.7 125.08 32.92 Favored 'General case' 0 N--CA 1.386 -3.648 0 N-CA-C 106.303 -1.74 . . . . 0.0 106.303 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.409 ' HB ' ' CG1' ' B' ' 43' ' ' ILE . 60.9 t -145.9 122.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.742 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.271 -176.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 59.9 27.77 17.17 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.603 1.161 . . . . 0.0 111.134 175.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.36 8.4 77.92 Favored Glycine 0 C--N 1.306 -1.104 0 C-N-CA 120.368 -0.92 . . . . 0.0 113.726 177.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.2 164.24 23.85 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 117.709 0.754 . . . . 0.0 110.426 175.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 67.4 mt -93.52 122.18 35.69 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 121.603 0.715 . . . . 0.0 109.616 -179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.456 HD12 HD12 ' A' ' 43' ' ' ILE . 28.4 mm -101.79 122.04 53.49 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.28 0 CA-C-N 114.622 -1.172 . . . . 0.0 108.225 -178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 50.3 mm -102.4 105.78 18.71 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.556 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -116.98 146.09 37.11 Favored Pre-proline 0 C--N 1.29 -2.001 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 178.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -87.7 168.52 7.02 Favored 'Trans proline' 0 N--CA 1.402 -3.86 0 C-N-CA 120.968 1.112 . . . . 0.0 109.823 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 18.7 t -117.63 115.43 48.56 Favored 'Isoleucine or valine' 0 C--N 1.258 -3.413 0 N-CA-C 105.093 -2.188 . . . . 0.0 105.093 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -78.36 133.52 37.56 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.634 0.73 . . . . 0.0 112.955 -172.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -86.84 97.52 10.69 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-N 114.589 -1.187 . . . . 0.0 108.693 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--N 1.265 -3.1 0 N-CA-C 107.084 -1.451 . . . . 0.0 107.084 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 38.9 p30 . . . . . 0 CA--C 1.512 -0.504 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -92.76 92.1 7.79 Favored 'General case' 0 N--CA 1.433 -1.32 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -120.48 -45.09 2.44 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 174.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 60.2 t -81.27 -39.17 17.12 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -97.11 25.28 5.57 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.015 178.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 16.8 t60 -69.13 -43.04 75.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.725 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 61.67 22.58 13.06 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 123.371 0.668 . . . . 0.0 111.269 172.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 39.2 m80 59.92 22.2 11.22 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 123.819 0.848 . . . . 0.0 112.007 -177.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -81.05 -33.94 33.13 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.754 -178.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 62.27 -171.87 0.16 Allowed 'General case' 0 C--O 1.245 0.853 0 C-N-CA 123.331 0.652 . . . . 0.0 110.806 -176.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 25.6 ttt -122.4 -7.22 8.71 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 49.4 m 73.47 -38.13 0.4 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 125.619 1.568 . . . . 0.0 111.426 -179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -64.36 -23.67 67.37 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 122.273 1.035 . . . . 0.0 109.735 175.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -81.66 -16.22 52.06 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 114.515 -1.221 . . . . 0.0 109.744 179.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -92.67 -33.85 14.2 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.701 -176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -94.99 0.04 54.27 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 120.399 -0.521 . . . . 0.0 111.285 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -132.82 83.8 2.09 Favored 'General case' 0 C--O 1.252 1.211 0 CA-C-O 121.045 0.45 . . . . 0.0 110.365 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -86.49 -102.6 0.78 Allowed Glycine 0 N--CA 1.427 -1.949 0 CA-C-N 115.164 -0.925 . . . . 0.0 112.159 177.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.3 mt -118.61 139.72 44.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.366 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -94.55 143.2 26.62 Favored 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 m -152.65 -170.18 3.56 Favored 'General case' 0 C--N 1.295 -1.773 0 C-N-CA 123.066 0.547 . . . . 0.0 109.78 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.553 ' OG ' ' HE2' ' A' ' 7' ' ' LYS . 16.8 p -152.61 154.93 36.35 Favored 'General case' 0 N--CA 1.426 -1.663 0 CA-C-O 120.826 0.346 . . . . 0.0 111.243 -176.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.0 t -90.26 121.7 40.82 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.293 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 72.4 mmtt -116.57 165.79 12.84 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -100.03 117.64 34.74 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-O 121.213 0.53 . . . . 0.0 111.719 -178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -104.75 95.15 5.69 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.44 -116.66 6.27 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 109.347 -1.501 . . . . 0.0 109.347 -175.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -109.6 27.93 9.07 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-N 116.87 0.335 . . . . 0.0 110.903 174.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 t -133.77 128.12 19.71 Favored Pre-proline 0 N--CA 1.411 -2.393 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.627 ' HG3' ' SD ' ' B' ' 22' ' ' MET . 29.5 Cg_endo -70.21 125.76 12.27 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 122.05 1.833 . . . . 0.0 109.457 172.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -134.66 142.92 46.99 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.051 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -112.01 140.08 33.36 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -86.87 121.14 28.94 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.691 -0.686 . . . . 0.0 112.11 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.518 ' O ' ' HG2' ' B' ' 13' ' ' PRO . 2.4 mp -94.85 135.41 23.75 Favored Pre-proline 0 C--N 1.305 -1.357 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -67.61 137.89 43.83 Favored 'Trans proline' 0 N--CA 1.451 -1.015 0 C-N-CA 121.424 1.416 . . . . 0.0 110.049 174.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.39 -30.05 70.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.158 0.504 . . . . 0.0 111.17 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.2 m -56.45 -38.92 72.32 Favored 'General case' 0 C--N 1.315 -0.895 0 C-N-CA 123.896 0.878 . . . . 0.0 110.399 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.9 mm? -76.22 -34.78 59.25 Favored 'General case' 0 CA--C 1.474 -1.958 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.167 -178.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.632 ' SD ' ' HG3' ' B' ' 13' ' ' PRO . 80.7 mtp -54.01 -48.73 70.15 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.078 174.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.91 -31.98 72.12 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.084 -1.417 . . . . 0.0 110.773 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.41 -32.42 62.68 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.19 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.493 HD11 ' HG ' ' B' ' 42' ' ' LEU . 66.5 mt -93.57 -16.3 24.54 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.586 -177.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 t30 66.68 61.15 0.55 Allowed 'General case' 0 C--O 1.242 0.678 0 C-N-CA 126.201 1.8 . . . . 0.0 110.962 -178.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.82 155.87 49.88 Favored 'General case' 0 N--CA 1.409 -2.501 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.893 175.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -121.78 -175.42 3.09 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-O 120.939 0.4 . . . . 0.0 110.895 -176.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 21.8 mm -69.81 140.96 17.79 Favored 'Isoleucine or valine' 0 C--O 1.25 1.087 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.2 t70 72.39 22.09 3.55 Favored 'General case' 0 C--O 1.217 -0.623 0 C-N-CA 125.707 1.603 . . . . 0.0 109.734 177.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -94.39 144.47 25.52 Favored 'General case' 0 N--CA 1.426 -1.667 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -87.03 133.37 33.6 Favored 'General case' 0 C--N 1.278 -2.501 0 C-N-CA 123.919 0.888 . . . . 0.0 109.704 -173.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.43 ' HA ' HG23 ' A' ' 47' ' ' VAL . 4.2 m -126.44 157.66 36.92 Favored 'Isoleucine or valine' 0 C--O 1.247 0.974 0 CA-C-O 120.93 0.395 . . . . 0.0 110.476 -177.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -102.78 122.85 45.33 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.441 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.2 mm -101.96 108.75 24.46 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.414 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 -177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -115.37 142.37 46.79 Favored 'General case' 0 C--N 1.289 -2.064 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -99.97 126.5 46.15 Favored 'General case' 0 N--CA 1.386 -3.632 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 41' ' ' LYS . 22.0 t -147.89 132.42 10.03 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.1 t70 63.16 22.18 13.25 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 124.504 1.121 . . . . 0.0 110.599 175.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.33 24.25 68.81 Favored Glycine 0 N--CA 1.438 -1.227 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.676 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' B' ' 44' ' ' ILE . 15.6 pttt -141.08 163.65 32.38 Favored 'General case' 0 C--O 1.246 0.907 0 CA-C-N 117.489 0.645 . . . . 0.0 110.299 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' HG ' HD11 ' B' ' 25' ' ' LEU . 55.6 mt -86.61 131.68 34.09 Favored 'General case' 0 CA--C 1.476 -1.868 0 CA-C-O 122.183 0.992 . . . . 0.0 110.396 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.53 HD12 HD12 ' B' ' 43' ' ' ILE . 45.9 mm -117.39 128.42 74.68 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.631 0 CA-C-N 114.033 -1.44 . . . . 0.0 107.186 -177.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.456 ' O ' ' HB2' ' B' ' 41' ' ' LYS . 37.9 mm -113.52 104.8 17.57 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-O 121.506 0.67 . . . . 0.0 109.327 -174.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 46' ' ' PRO . 42.6 tt0 -118.16 132.31 23.79 Favored Pre-proline 0 C--N 1.282 -2.332 0 N-CA-C 106.169 -1.789 . . . . 0.0 106.169 -178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 45' ' ' GLU . 3.7 Cg_exo -76.71 170.27 20.2 Favored 'Trans proline' 0 N--CA 1.427 -2.426 0 C-N-CA 121.072 1.181 . . . . 0.0 111.022 -175.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG23 ' HA ' ' A' ' 33' ' ' VAL . 21.8 t -105.14 113.83 43.16 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.684 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -178.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 41.9 mtm105 -71.83 136.6 47.07 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 175.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 50' ' ' GLU . 41.4 mmtm -92.97 93.72 8.51 Favored 'General case' 0 N--CA 1.407 -2.605 0 N-CA-C 107.503 -1.295 . . . . 0.0 107.503 -178.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 49' ' ' LYS . 36.1 tt0 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 128.317 2.647 . . . . 0.0 104.021 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 . . . . . 0 CA--C 1.5 -0.969 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -92.81 91.8 7.63 Favored 'General case' 0 C--N 1.31 -1.121 0 C-N-CA 119.82 -0.752 . . . . 0.0 110.843 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -119.06 -46.1 2.54 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 174.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 52.7 t -79.03 -44.76 24.5 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.945 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 175.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -89.12 22.83 2.64 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.894 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . 0.409 ' CE1' ' HA ' ' B' ' -7' ' ' HIS . 54.2 t60 -65.8 -45.05 83.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.397 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 59.98 22.86 11.97 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.75 0.82 . . . . 0.0 110.713 173.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 53.9 m80 59.5 21.79 10.29 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.39 1.076 . . . . 0.0 112.131 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -74.86 -39.5 61.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.383 -179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . 0.409 ' HA ' ' CE1' ' B' ' -11' ' ' HIS . 55.6 m-70 64.97 -177.44 0.18 Allowed 'General case' 0 N--CA 1.467 0.393 0 O-C-N 124.047 0.842 . . . . 0.0 110.524 -174.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . 0.408 ' C ' ' H ' ' B' ' -4' ' ' ASP . 26.5 ttt -116.46 -5.61 11.73 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 175.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 51.9 m 71.49 -36.11 0.35 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.509 1.524 . . . . 0.0 111.802 -178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' B' ' -6' ' ' MET . 23.2 t70 -64.83 -26.13 68.2 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.368 1.08 . . . . 0.0 109.785 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -79.64 -13.41 59.51 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.293 178.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -91.67 -36.05 13.85 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.604 -176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -94.69 1.17 55.5 Favored 'General case' 0 C--N 1.321 -0.63 0 C-N-CA 121.107 -0.237 . . . . 0.0 111.49 -179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -133.18 82.27 1.98 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 120.726 0.298 . . . . 0.0 110.598 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -85.53 -98.32 0.72 Allowed Glycine 0 C--N 1.304 -1.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.851 177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 68.6 mt -120.29 145.61 26.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -105.01 138.46 41.18 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -145.88 -165.7 2.27 Favored 'General case' 0 C--N 1.293 -1.866 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.898 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.452 ' OG ' ' HE2' ' B' ' 7' ' ' LYS . 8.4 p -154.66 153.99 32.23 Favored 'General case' 0 N--CA 1.429 -1.513 0 CA-C-O 120.702 0.287 . . . . 0.0 110.997 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -90.88 118.52 36.29 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.452 ' HE2' ' OG ' ' B' ' 5' ' ' SER . 72.4 mmtt -113.41 168.39 9.78 Favored 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -101.61 121.39 41.91 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 120.299 -0.56 . . . . 0.0 111.301 -178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 11.0 t90 -108.9 97.95 7.51 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.49 -116.95 5.99 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -113.08 30.42 7.2 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-O 120.801 0.334 . . . . 0.0 110.121 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -133.71 129.35 20.32 Favored Pre-proline 0 N--CA 1.408 -2.565 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.632 ' HG3' ' SD ' ' A' ' 22' ' ' MET . 32.5 Cg_endo -71.32 127.07 12.92 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.161 1.908 . . . . 0.0 109.57 172.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.412 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -135.67 141.26 44.96 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 120.924 0.392 . . . . 0.0 110.222 -177.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 14.3 p -110.25 139.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -85.01 123.27 30.36 Favored 'General case' 0 N--CA 1.431 -1.387 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.005 -178.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.54 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mp -97.45 134.23 22.83 Favored Pre-proline 0 C--N 1.31 -1.123 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 178.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -67.32 134.75 34.51 Favored 'Trans proline' 0 N--CA 1.445 -1.373 0 C-N-CA 121.265 1.31 . . . . 0.0 109.971 175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' B' ' 23' ' ' GLN . . . -60.32 -28.27 68.0 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.315 0.579 . . . . 0.0 111.195 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 21.7 m -59.52 -36.25 75.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.206 176.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' B' ' 25' ' ' LEU . 3.9 mm? -77.49 -35.33 53.75 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.627 ' SD ' ' HG3' ' A' ' 13' ' ' PRO . 85.8 mtp -52.79 -48.29 66.97 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.589 0.709 . . . . 0.0 109.186 173.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' B' ' 19' ' ' ALA . 89.3 mt-30 -68.85 -28.69 66.95 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 114.39 -1.277 . . . . 0.0 110.823 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.43 55.37 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.051 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.479 HD11 ' HG ' ' A' ' 42' ' ' LEU . 73.7 mt -93.7 -21.03 19.6 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.325 0.583 . . . . 0.0 110.025 -178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 7.5 t30 70.82 61.01 0.19 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 126.013 1.725 . . . . 0.0 110.806 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 pp -135.03 157.2 47.55 Favored 'General case' 0 N--CA 1.401 -2.901 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.37 175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -125.12 -175.17 3.23 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 120.522 0.201 . . . . 0.0 110.749 -174.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 23.2 mm -72.06 138.55 21.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 19.5 t70 74.21 24.32 1.94 Allowed 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 125.699 1.6 . . . . 0.0 109.713 177.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -99.04 143.21 29.57 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -82.32 135.43 35.2 Favored 'General case' 0 C--N 1.277 -2.562 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.198 -175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.434 ' HA ' HG23 ' B' ' 47' ' ' VAL . 3.5 m -129.62 155.66 41.49 Favored 'Isoleucine or valine' 0 C--O 1.248 1.02 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -101.3 123.66 45.76 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 25.2 mm -101.34 107.01 20.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -114.57 144.27 43.66 Favored 'General case' 0 C--N 1.288 -2.101 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 -179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -102.7 126.79 49.93 Favored 'General case' 0 N--CA 1.385 -3.702 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 177.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HG2' ' B' ' 41' ' ' LYS . 46.8 t -147.93 133.82 11.95 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.181 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 32.7 t70 61.36 22.12 12.56 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 124.714 1.205 . . . . 0.0 111.569 175.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.64 26.15 65.92 Favored Glycine 0 N--CA 1.437 -1.27 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.614 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 18.2 pttt -141.78 163.19 33.56 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 117.06 0.43 . . . . 0.0 110.179 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.493 ' HG ' HD11 ' A' ' 25' ' ' LEU . 65.9 mt -85.87 129.63 34.78 Favored 'General case' 0 CA--C 1.475 -1.928 0 CA-C-O 121.914 0.864 . . . . 0.0 110.711 -177.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.53 HD12 HD12 ' A' ' 43' ' ' ILE . 40.7 mm -115.02 129.39 71.31 Favored 'Isoleucine or valine' 0 C--N 1.256 -3.493 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.471 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 41.6 mm -114.05 104.57 17.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 -174.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' B' ' 46' ' ' PRO . 43.2 tt0 -118.3 131.25 24.3 Favored Pre-proline 0 C--N 1.286 -2.157 0 N-CA-C 106.027 -1.842 . . . . 0.0 106.027 -178.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' B' ' 45' ' ' GLU . 3.2 Cg_exo -75.97 169.04 22.94 Favored 'Trans proline' 0 N--CA 1.426 -2.458 0 C-N-CA 121.043 1.162 . . . . 0.0 111.341 -175.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.434 HG23 ' HA ' ' B' ' 33' ' ' VAL . 25.9 t -104.1 113.37 40.83 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.523 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -177.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 -71.39 138.92 49.55 Favored 'General case' 0 C--N 1.284 -2.274 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.447 ' O ' ' HB2' ' B' ' 50' ' ' GLU . 41.8 mmtm -95.54 94.33 7.7 Favored 'General case' 0 N--CA 1.4 -2.973 0 C-N-CA 118.081 -1.448 . . . . 0.0 107.283 -179.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' B' ' 49' ' ' LYS . 33.0 tt0 . . . . . 0 C--O 1.247 0.942 0 N-CA-C 103.292 -2.855 . . . . 0.0 103.292 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.499 -1.005 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -82.32 -36.31 27.06 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 176.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -112.73 132.87 55.02 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 168.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 44.1 t -72.61 -41.59 63.11 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-O 121.318 0.58 . . . . 0.0 110.051 -175.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -96.49 96.96 9.05 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -68.65 -36.54 78.72 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.334 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -74.36 -6.81 50.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.66 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -105.72 99.65 9.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -76.98 87.35 3.51 Favored 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.58 138.2 58.07 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.286 -1.325 . . . . 0.0 112.438 -178.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 25.3 ttt -136.11 133.62 37.48 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 50.8 m 64.43 29.84 13.29 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 124.076 0.86 . . . . 0.0 109.982 -178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -64.18 -34.57 78.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.826 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.07 -20.48 34.84 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-N 115.159 -0.928 . . . . 0.0 111.317 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -89.18 -40.82 12.62 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.661 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -72.67 122.98 22.33 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.671 178.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' B' ' 36' ' ' ASP . 22.4 pttp -100.58 2.62 41.98 Favored 'General case' 0 C--N 1.309 -1.188 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.625 -174.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -110.05 82.91 0.31 Allowed Glycine 0 CA--C 1.498 -1.018 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 61.9 mt -77.77 118.31 24.46 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 CA-C-O 120.669 0.271 . . . . 0.0 110.625 -174.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -87.41 109.15 19.36 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.197 0.522 . . . . 0.0 111.003 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.473 ' OG ' HG22 ' B' ' 33' ' ' VAL . 91.1 p -107.05 -152.89 0.49 Allowed 'General case' 0 C--N 1.305 -1.351 0 C-N-CA 123.624 0.77 . . . . 0.0 109.482 -177.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m -160.38 131.04 5.48 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 59.9 t -71.82 110.19 4.65 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -104.91 167.33 9.78 Favored 'General case' 0 C--N 1.281 -2.413 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -101.15 118.17 36.45 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.304 0.573 . . . . 0.0 110.956 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -105.27 96.1 6.29 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.09 -121.63 7.16 Favored Glycine 0 N--CA 1.435 -1.381 0 N-CA-C 108.24 -1.944 . . . . 0.0 108.24 -176.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -107.87 24.89 12.26 Favored 'General case' 0 C--N 1.299 -1.628 0 CA-C-N 117.728 0.764 . . . . 0.0 110.502 173.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -129.05 127.38 23.33 Favored Pre-proline 0 N--CA 1.406 -2.631 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -173.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -65.75 132.23 29.99 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.164 1.909 . . . . 0.0 109.499 172.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 14' ' ' ALA . . . -132.64 140.81 48.35 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.085 0.469 . . . . 0.0 111.086 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -110.26 130.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 177.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -79.18 129.39 34.41 Favored 'General case' 0 C--N 1.311 -1.084 0 O-C-N 123.425 0.453 . . . . 0.0 111.337 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -102.27 127.83 29.78 Favored Pre-proline 0 C--N 1.302 -1.485 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.47 138.58 71.56 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 121.939 1.76 . . . . 0.0 110.772 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.51 -27.43 69.26 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.144 -179.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.6 m -59.06 -43.11 91.7 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.657 0.783 . . . . 0.0 109.925 175.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -75.24 -36.92 61.25 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.512 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 79.2 mmm -51.77 -52.66 47.22 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 124.345 1.028 . . . . 0.0 109.479 174.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -68.84 -31.53 70.57 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 114.549 -1.205 . . . . 0.0 111.657 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.09 -36.87 75.21 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.666 0.745 . . . . 0.0 110.418 -176.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.5 mt -94.58 -4.09 48.48 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.578 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 60.19 29.96 19.46 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.93 1.292 . . . . 0.0 112.748 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -100.84 155.98 17.62 Favored 'General case' 0 N--CA 1.411 -2.405 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 52.6 m-80 -127.85 -178.2 4.41 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.437 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.8 mm -66.63 142.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 79.22 17.49 0.87 Allowed 'General case' 0 CA--C 1.493 -1.247 0 C-N-CA 125.475 1.51 . . . . 0.0 112.292 -177.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' B' ' 5' ' ' SER . 17.3 t70 -85.68 123.45 31.09 Favored 'General case' 0 N--CA 1.428 -1.525 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HA ' ' O ' ' B' ' 4' ' ' SER . 31.8 tt0 -73.38 131.44 41.87 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.268 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.2 m -128.85 155.69 40.96 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 C-N-CA 119.813 -0.755 . . . . 0.0 110.755 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -92.83 121.96 34.73 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.171 175.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -98.03 95.24 4.31 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 N-CA-C 103.903 -2.628 . . . . 0.0 103.903 166.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -110.72 136.25 50.08 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 123.383 0.427 . . . . 0.0 110.093 -174.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -93.25 131.45 38.35 Favored 'General case' 0 N--CA 1.385 -3.717 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 -177.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.6 t -151.44 122.62 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 178.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.1 t70 66.95 21.86 10.23 Favored 'General case' 0 N--CA 1.496 1.865 0 CA-C-O 122.474 1.13 . . . . 0.0 110.909 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.12 11.3 74.85 Favored Glycine 0 C--N 1.317 -0.52 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.534 -177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.546 ' HD3' HG23 ' B' ' 43' ' ' ILE . 21.5 ttmm -107.21 146.95 30.75 Favored 'General case' 0 N--CA 1.413 -2.317 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 -178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.2 mt -91.91 122.36 34.36 Favored 'General case' 0 CA--C 1.481 -1.688 0 CA-C-O 121.894 0.854 . . . . 0.0 109.916 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.409 HG23 ' HD3' ' B' ' 41' ' ' LYS . 42.9 mm -100.94 122.87 53.51 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.056 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.637 -179.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 44.1 mm -114.67 115.21 48.86 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.194 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.491 179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -134.58 149.41 70.83 Favored Pre-proline 0 C--N 1.287 -2.124 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -83.4 170.43 11.84 Favored 'Trans proline' 0 N--CA 1.41 -3.423 0 C-N-CA 121.568 1.512 . . . . 0.0 108.371 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.428 HG23 ' HA ' ' A' ' 33' ' ' VAL . 17.8 t -111.1 109.25 27.8 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.245 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 176.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -72.02 153.91 41.47 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.422 -171.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -95.4 97.39 9.78 Favored 'General case' 0 N--CA 1.412 -2.348 0 CA-C-N 114.888 -1.051 . . . . 0.0 108.338 177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 C--N 1.32 -0.708 0 CA-C-N 113.302 -1.772 . . . . 0.0 110.325 -177.401 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . 0.405 ' HB3' ' O ' ' B' ' -14' ' ' LYS . 1.6 m-20 . . . . . 0 C--O 1.24 0.562 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -87.63 -36.43 17.48 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . 0.435 ' HE2' ' HA ' ' B' ' -11' ' ' HIS . 23.3 pttm -109.17 136.46 48.62 Favored 'General case' 0 N--CA 1.425 -1.715 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 167.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 38.0 t -76.86 -41.04 32.23 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 CA-C-O 121.493 0.663 . . . . 0.0 109.255 -175.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -92.43 102.63 15.1 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.016 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . 0.435 ' HA ' ' HE2' ' B' ' -14' ' ' LYS . 33.9 m-70 -77.87 -31.18 51.23 Favored 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.498 -179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -79.52 -4.14 50.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.45 0.643 . . . . 0.0 111.258 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 24.4 t60 -105.81 106.55 17.11 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . . . . . . . . . 47.9 m80 -82.18 87.85 6.51 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.705 0.764 . . . . 0.0 109.597 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.86 135.24 57.72 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 113.994 -1.457 . . . . 0.0 112.135 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 25.6 ttt -134.66 135.83 42.37 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 106.214 -1.773 . . . . 0.0 106.214 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 13.5 m 65.81 26.3 11.23 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.128 0.892 . . . . 0.0 110.166 -179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -59.83 -35.62 75.12 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.418 1.087 . . . . 0.0 112.284 -176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -90.39 -15.94 30.05 Favored 'General case' 0 C--N 1.292 -1.908 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.355 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -89.84 -39.99 12.73 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 121.113 0.482 . . . . 0.0 110.232 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.87 117.63 13.71 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.452 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -93.32 -15.86 25.31 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.309 -174.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -93.65 81.99 1.02 Allowed Glycine 0 CA--C 1.502 -0.759 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -76.18 121.76 28.88 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 C-N-CA 122.989 0.516 . . . . 0.0 111.047 -175.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -87.83 123.96 33.14 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.57 ' O ' ' HA ' ' A' ' 32' ' ' GLU . 76.7 p -121.36 -156.2 0.67 Allowed 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.792 0.837 . . . . 0.0 109.497 -177.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 39.2 m -156.43 133.77 10.7 Favored 'General case' 0 N--CA 1.433 -1.321 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 174.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.1 t -76.3 110.8 12.1 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -104.6 169.89 8.2 Favored 'General case' 0 C--N 1.282 -2.334 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -103.45 114.91 29.56 Favored 'General case' 0 C--N 1.292 -1.91 0 CA-C-O 121.153 0.501 . . . . 0.0 111.538 -177.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 12.6 t90 -102.26 95.45 6.31 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.67 -121.19 8.58 Favored Glycine 0 N--CA 1.438 -1.214 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -104.02 18.67 21.54 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 117.348 0.574 . . . . 0.0 111.036 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 39.9 t -125.47 125.74 25.07 Favored Pre-proline 0 N--CA 1.416 -2.175 0 O-C-N 121.76 -0.588 . . . . 0.0 109.656 -173.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -63.19 131.15 31.18 Favored 'Trans proline' 0 C--N 1.32 -0.965 0 C-N-CA 122.136 1.891 . . . . 0.0 109.448 172.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 14' ' ' ALA . . . -132.44 140.3 48.36 Favored 'General case' 0 N--CA 1.428 -1.526 0 CA-C-O 120.974 0.416 . . . . 0.0 111.438 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 88.0 t -109.13 128.12 65.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -77.44 125.54 29.49 Favored 'General case' 0 C--N 1.315 -0.891 0 O-C-N 123.559 0.537 . . . . 0.0 111.49 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -98.78 127.76 34.52 Favored Pre-proline 0 C--N 1.305 -1.343 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -61.74 137.7 70.01 Favored 'Trans proline' 0 C--O 1.252 1.196 0 C-N-CA 122.16 1.907 . . . . 0.0 110.878 177.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.93 -26.47 68.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.176 0.512 . . . . 0.0 110.08 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 5.7 m -58.35 -44.27 88.69 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 123.827 0.851 . . . . 0.0 109.882 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -75.62 -36.6 60.2 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.648 -178.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 81.7 mmm -52.09 -50.48 61.52 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.528 174.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -69.63 -30.8 68.6 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.454 -1.248 . . . . 0.0 111.759 177.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.34 -38.67 74.91 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.836 0.827 . . . . 0.0 110.657 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 70.2 mt -95.73 -1.06 50.69 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.736 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 61.2 21.93 12.32 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.139 1.376 . . . . 0.0 113.121 177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 3.2 pp -96.2 153.73 17.64 Favored 'General case' 0 N--CA 1.418 -2.031 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -125.74 178.97 5.39 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.39 -177.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.65 139.46 21.05 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 79.61 15.67 0.9 Allowed 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 125.859 1.664 . . . . 0.0 112.808 -176.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -83.07 123.08 29.14 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 174.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 4' ' ' SER . 31.3 tt0 -71.29 134.03 46.49 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.699 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.473 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -131.62 151.43 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.812 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.699 -179.031 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -88.75 124.77 34.45 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.209 175.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -99.55 94.47 3.6 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 103.507 -2.775 . . . . 0.0 103.507 165.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 0' ' ' LYS . 37.8 t70 -110.91 130.67 55.51 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.981 -174.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -88.73 130.94 35.23 Favored 'General case' 0 N--CA 1.389 -3.48 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 91.8 t -151.57 127.53 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.283 -2.296 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 64.26 21.17 12.45 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-O 122.44 1.114 . . . . 0.0 110.934 175.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.38 15.88 70.82 Favored Glycine 0 CA--C 1.522 0.482 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.416 -176.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 43' ' ' ILE . 21.4 ttmm -112.36 148.16 34.85 Favored 'General case' 0 N--CA 1.416 -2.158 0 N-CA-C 106.612 -1.625 . . . . 0.0 106.612 -179.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -91.62 122.24 34.01 Favored 'General case' 0 CA--C 1.481 -1.695 0 CA-C-O 121.707 0.765 . . . . 0.0 110.227 178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.546 HG23 ' HD3' ' A' ' 41' ' ' LYS . 47.0 mm -102.33 122.58 54.8 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.98 0 CA-C-N 114.13 -1.395 . . . . 0.0 108.647 -179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 44.0 mm -114.13 115.57 50.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.056 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.644 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -135.74 146.58 57.75 Favored Pre-proline 0 C--N 1.292 -1.918 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -85.48 161.34 11.03 Favored 'Trans proline' 0 N--CA 1.408 -3.523 0 C-N-CA 121.672 1.582 . . . . 0.0 109.09 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 15.7 t -103.98 110.68 30.96 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.691 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -76.68 150.19 36.37 Favored 'General case' 0 N--CA 1.419 -1.988 0 CA-C-N 115.135 -0.938 . . . . 0.0 111.68 -170.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -90.56 96.96 10.91 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 . . . . . 0 C--O 1.248 1.01 0 C-N-CA 126.0 1.72 . . . . 0.0 110.747 -177.736 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -16' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -15' ' ' HIS . . . . . 0.564 ' O ' ' HG2' ' A' ' -14' ' ' LYS . 18.9 m-70 -98.08 84.88 3.36 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 106.194 -1.78 . . . . 0.0 106.194 172.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -14' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' -15' ' ' HIS . 5.6 ptpp? 82.29 164.98 0.14 Allowed 'General case' 0 C--O 1.249 1.065 0 C-N-CA 128.472 2.709 . . . . 0.0 108.101 -168.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -13' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.79 104.96 6.2 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -12' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -85.29 107.03 17.12 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -11' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -86.52 97.8 10.7 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -177.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -10' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -104.95 88.69 2.94 Favored 'General case' 0 C--N 1.295 -1.804 0 CA-C-O 121.576 0.703 . . . . 0.0 110.477 -178.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -9' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -103.18 88.07 3.05 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -8' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -82.34 -82.72 0.13 Allowed 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.337 -172.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -165.41 -36.69 0.03 OUTLIER 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 -176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' MET . . . . . . . . . . . . . 56.2 ttm -102.74 58.04 0.78 Allowed 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 174.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' SER . . . . . . . . . . . . . 16.6 m -77.34 -0.05 24.12 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.097 -177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' ASP . . . . . 0.485 ' HA ' ' HB3' ' A' ' -1' ' ' ASP . 7.2 m-20 -67.28 -14.79 63.24 Favored 'General case' 0 CA--C 1.512 -0.486 0 C-N-CA 125.102 1.361 . . . . 0.0 110.615 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -65.57 -48.26 72.98 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.48 -178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -89.18 -16.45 31.33 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-O 122.186 0.993 . . . . 0.0 109.198 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . 0.485 ' HB3' ' HA ' ' A' ' -4' ' ' ASP . 14.3 t70 -77.22 91.54 3.76 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.027 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -129.79 11.78 5.7 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.59 175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' B' ' 36' ' ' ASP . . . -125.03 104.87 0.8 Allowed Glycine 0 N--CA 1.42 -2.384 0 CA-C-N 114.232 -1.349 . . . . 0.0 110.386 -178.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 62.2 mt -74.94 119.05 21.79 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 -178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -77.6 104.73 8.31 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 177.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.496 ' OG ' HG22 ' B' ' 33' ' ' VAL . 81.5 p -96.74 -156.61 0.54 Allowed 'General case' 0 C--N 1.29 -1.984 0 CA-C-N 114.833 -1.076 . . . . 0.0 109.697 -175.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' B' ' 31' ' ' ASP . 33.5 p -166.29 126.82 1.7 Allowed 'General case' 0 N--CA 1.428 -1.531 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 175.125 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.7 t -75.7 117.32 19.96 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.479 ' HE2' ' OG ' ' A' ' 5' ' ' SER . 73.4 mmtt -105.88 169.44 8.48 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -176.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -102.57 112.53 25.31 Favored 'General case' 0 C--N 1.298 -1.641 0 CA-C-O 121.004 0.43 . . . . 0.0 111.756 -176.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -103.27 95.71 6.28 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.88 -115.43 4.12 Favored Glycine 0 N--CA 1.422 -2.244 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -115.17 28.01 8.99 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 173.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.4 m -135.71 134.46 20.8 Favored Pre-proline 0 N--CA 1.417 -2.088 0 O-C-N 122.105 -0.372 . . . . 0.0 110.083 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.475 ' HG2' ' O ' ' B' ' 17' ' ' ILE . 18.2 Cg_endo -67.53 126.18 14.45 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.721 2.281 . . . . 0.0 111.347 176.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -139.09 137.43 36.19 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.342 -179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.452 HG12 HD11 ' B' ' 17' ' ' ILE . 11.0 p -110.96 139.54 34.33 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.684 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -83.47 120.35 25.81 Favored 'General case' 0 C--N 1.305 -1.358 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.74 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 HG12 ' B' ' 15' ' ' VAL . 3.2 mp -92.96 130.04 37.66 Favored Pre-proline 0 C--N 1.297 -1.695 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -60.26 127.42 22.97 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 122.112 1.875 . . . . 0.0 110.782 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.72 -30.66 65.72 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.106 0.562 . . . . 0.0 111.189 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.0 m -56.63 -36.08 69.07 Favored 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 123.665 0.786 . . . . 0.0 110.684 176.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -82.26 -33.93 28.97 Favored 'General case' 0 CA--C 1.484 -1.574 0 C-N-CA 122.809 0.444 . . . . 0.0 111.002 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.5 mmm -53.9 -47.8 70.77 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.067 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -67.39 -35.33 79.09 Favored 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 114.059 -1.428 . . . . 0.0 111.171 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.36 -29.71 64.04 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -174.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.507 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 69.7 mt -102.51 -9.57 20.09 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-O 121.867 0.842 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 t30 60.83 68.59 0.73 Allowed 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 126.411 1.884 . . . . 0.0 112.89 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -131.32 161.27 32.72 Favored 'General case' 0 N--CA 1.402 -2.837 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 173.527 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -127.2 -169.33 2.02 Favored 'General case' 0 C--N 1.29 -1.994 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.147 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.3 mm -77.63 145.52 9.84 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.121 0 N-CA-C 108.409 -0.959 . . . . 0.0 108.409 176.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.5 t70 69.43 27.04 5.06 Favored 'General case' 0 C--O 1.225 -0.235 0 C-N-CA 125.062 1.345 . . . . 0.0 109.098 178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' B' ' 5' ' ' SER . 21.0 t0 -99.3 136.04 39.83 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HA ' ' O ' ' B' ' 4' ' ' SER . 38.6 tt0 -86.76 126.0 34.3 Favored 'General case' 0 C--N 1.28 -2.432 0 C-N-CA 124.26 1.024 . . . . 0.0 110.147 -173.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG22 ' OG ' ' B' ' 4' ' ' SER . 1.7 m -126.77 158.86 37.09 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.192 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -91.88 121.45 33.5 Favored 'General case' 0 C--N 1.286 -2.171 0 C-N-CA 119.045 -1.062 . . . . 0.0 110.973 174.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.406 HG22 HD22 ' A' ' 42' ' ' LEU . 14.0 mm -89.85 90.26 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.783 0 N-CA-C 102.949 -2.982 . . . . 0.0 102.949 169.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HA ' ' HA2' ' B' ' 1' ' ' GLY . 11.7 t70 -103.51 123.39 46.82 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -171.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -86.27 127.06 34.71 Favored 'General case' 0 N--CA 1.387 -3.589 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 -176.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.1 t -143.71 124.97 10.45 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.262 0 CA-C-N 114.052 -1.431 . . . . 0.0 108.671 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t70 55.64 23.05 5.78 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 125.253 1.421 . . . . 0.0 112.959 174.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.34 13.47 68.16 Favored Glycine 0 C--N 1.297 -1.609 0 C-N-CA 120.271 -0.966 . . . . 0.0 113.576 177.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.33 158.0 33.68 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 173.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 26.0 mt -91.51 120.34 32.24 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-O 121.973 0.892 . . . . 0.0 108.959 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 36' ' ' ASP . 50.9 mm -101.63 123.79 54.99 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.228 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.635 -177.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' B' ' 42' ' ' LEU . 45.8 mm -107.11 104.17 16.64 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.734 -179.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -119.97 133.54 23.92 Favored Pre-proline 0 C--N 1.294 -1.805 0 N-CA-C 104.311 -2.477 . . . . 0.0 104.311 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -81.42 165.34 18.61 Favored 'Trans proline' 0 N--CA 1.401 -3.918 0 C-N-CA 120.838 1.025 . . . . 0.0 109.55 -177.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' HA ' ' A' ' 33' ' ' VAL . 33.5 t -94.47 105.86 17.43 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.078 0 N-CA-C 106.016 -1.846 . . . . 0.0 106.016 -178.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.8 mtt180 -82.18 131.3 35.24 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.148 -173.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -81.21 97.26 7.54 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 114.473 -1.239 . . . . 0.0 110.408 -174.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 C--N 1.278 -2.511 0 CA-C-N 113.932 -1.486 . . . . 0.0 107.082 175.192 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -16' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 CA--C 1.509 -0.625 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' -15' ' ' HIS . . . . . 0.538 ' O ' ' HG2' ' B' ' -14' ' ' LYS . 62.0 m-70 -95.38 96.49 9.16 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 104.856 -2.275 . . . . 0.0 104.856 172.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' -14' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' B' ' -15' ' ' HIS . 6.8 ptpp? 71.93 162.54 0.26 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 127.941 2.496 . . . . 0.0 109.574 -169.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' -13' ' ' VAL . . . . . . . . . . . . . 64.2 t -77.21 102.16 3.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.292 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -12' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -86.06 102.13 13.56 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 178.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -11' ' ' HIS . . . . . . . . . . . . . 30.1 t-80 -77.44 110.48 12.25 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -10' ' ' HIS . . . . . 0.457 ' NE2' ' HB2' ' B' ' -8' ' ' HIS . 76.4 t60 -116.44 87.12 2.62 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 121.457 0.646 . . . . 0.0 110.045 -178.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' -9' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -99.57 91.51 4.93 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 175.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -8' ' ' HIS . . . . . 0.457 ' HB2' ' NE2' ' B' ' -10' ' ' HIS . 13.9 t-160 -80.73 -79.04 0.16 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.333 -174.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' -7' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -168.89 -53.22 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 105.894 -1.891 . . . . 0.0 105.894 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -6' ' ' MET . . . . . . . . . . . . . 57.1 ttm -88.65 71.83 8.76 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -5' ' ' SER . . . . . . . . . . . . . 8.2 m -88.89 2.41 53.79 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 122.299 1.047 . . . . 0.0 109.091 -177.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.56 -14.4 61.01 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-N 113.841 -1.527 . . . . 0.0 110.549 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -3' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -66.71 -50.98 61.07 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -82.7 -25.44 32.97 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-O 121.561 0.696 . . . . 0.0 110.489 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' -1' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -76.9 90.35 3.52 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.159 -175.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -128.28 12.71 6.57 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.436 ' HA2' ' HA ' ' A' ' 36' ' ' ASP . . . -122.38 107.05 1.11 Allowed Glycine 0 N--CA 1.42 -2.413 0 CA-C-N 114.447 -1.251 . . . . 0.0 110.362 -179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 59.1 mt -76.35 117.51 21.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 N-CA-C 109.198 -0.668 . . . . 0.0 109.198 -178.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 62.6 m80 -76.02 107.75 8.45 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . 0.543 ' OG ' HG22 ' A' ' 33' ' ' VAL . 64.4 p -101.44 -159.18 0.72 Allowed 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.27 -174.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 31' ' ' ASP . 15.2 p -164.52 125.96 2.18 Favored 'General case' 0 N--CA 1.415 -2.189 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 176.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.64 112.36 16.57 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.687 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -101.28 174.16 6.12 Favored 'General case' 0 C--N 1.284 -2.263 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -107.78 112.47 25.14 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.092 0.472 . . . . 0.0 111.696 -175.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -104.22 98.7 8.46 Favored 'General case' 0 C--N 1.311 -1.093 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.85 -120.16 5.61 Favored Glycine 0 N--CA 1.425 -2.043 0 N-CA-C 107.402 -2.279 . . . . 0.0 107.402 -174.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -115.25 31.36 6.75 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 117.073 0.436 . . . . 0.0 110.419 172.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 50.7 m -134.05 135.03 23.62 Favored Pre-proline 0 N--CA 1.42 -1.953 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.412 ' HG2' ' O ' ' A' ' 17' ' ' ILE . 18.8 Cg_endo -67.13 127.45 16.79 Favored 'Trans proline' 0 C--O 1.246 0.908 0 C-N-CA 122.891 2.394 . . . . 0.0 111.399 175.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.34 137.58 34.21 Favored 'General case' 0 N--CA 1.425 -1.693 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.359 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.423 HG12 HD11 ' A' ' 17' ' ' ILE . 11.3 p -109.53 140.78 26.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 178.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -84.75 120.05 25.98 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.835 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' PRO . 3.3 mp -93.99 129.28 38.18 Favored Pre-proline 0 C--N 1.305 -1.356 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -59.44 127.94 25.57 Favored 'Trans proline' 0 C--O 1.253 1.25 0 C-N-CA 122.185 1.923 . . . . 0.0 110.927 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.47 -28.1 63.07 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.27 0.628 . . . . 0.0 111.197 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -58.81 -39.16 80.34 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 123.547 0.739 . . . . 0.0 110.387 177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -79.38 -32.94 43.22 Favored 'General case' 0 CA--C 1.478 -1.795 0 CA-C-O 121.081 0.467 . . . . 0.0 110.828 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 87.6 mmm -54.23 -48.02 71.54 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.434 174.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.98 -33.99 72.78 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.589 176.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.93 -36.2 75.14 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.353 0.597 . . . . 0.0 111.75 -175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.469 ' HB2' ' CD2' ' B' ' 27' ' ' LEU . 75.3 mt -95.08 -14.95 23.79 Favored 'General case' 0 C--N 1.299 -1.612 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.393 -178.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 66.8 70.17 0.4 Allowed 'General case' 0 C--O 1.254 1.298 0 C-N-CA 125.68 1.592 . . . . 0.0 112.483 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' B' ' 25' ' ' LEU . 1.0 OUTLIER -133.83 160.23 38.24 Favored 'General case' 0 N--CA 1.396 -3.143 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.566 172.662 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -126.67 -171.96 2.53 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 37.1 mm -76.74 142.75 13.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ASP . . . . . . . . . . . . . 24.8 t0 71.07 25.49 3.68 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.196 1.798 . . . . 0.0 109.578 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ASP . . . . . 0.538 ' O ' ' HA ' ' A' ' 5' ' ' SER . 9.9 t70 -95.39 132.57 40.3 Favored 'General case' 0 N--CA 1.426 -1.633 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 4' ' ' SER . 34.7 tt0 -82.11 127.03 32.71 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.895 -175.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' VAL . . . . . 0.496 HG22 ' OG ' ' A' ' 4' ' ' SER . 1.2 m -129.0 153.87 39.21 Favored 'Isoleucine or valine' 0 C--O 1.244 0.794 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -87.41 126.55 34.94 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 118.838 -1.145 . . . . 0.0 111.011 175.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.474 HG22 HD22 ' B' ' 42' ' ' LEU . 15.7 mm -93.33 91.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.948 0 N-CA-C 102.862 -3.014 . . . . 0.0 102.862 168.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.405 ' HA ' ' HA2' ' A' ' 1' ' ' GLY . 10.6 t70 -104.67 125.03 50.38 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 -171.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -86.82 125.02 33.68 Favored 'General case' 0 N--CA 1.391 -3.421 0 CA-C-O 122.012 0.911 . . . . 0.0 109.078 -176.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -141.83 123.57 13.31 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.507 0 CA-C-N 114.01 -1.45 . . . . 0.0 108.985 -178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 57.14 21.62 6.67 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.772 1.229 . . . . 0.0 113.215 173.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.18 14.54 62.15 Favored Glycine 0 C--N 1.306 -1.112 0 C-N-CA 120.431 -0.89 . . . . 0.0 113.569 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 0.0 OUTLIER -128.1 158.44 38.0 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.998 -0.742 . . . . 0.0 108.998 173.03 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . 0.474 HD22 HG22 ' B' ' 35' ' ' ILE . 68.5 mt -90.58 120.82 31.98 Favored 'General case' 0 CA--C 1.482 -1.653 0 CA-C-O 121.84 0.829 . . . . 0.0 109.31 179.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 50.9 mm -102.56 126.17 56.75 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.32 0 CA-C-N 114.107 -1.406 . . . . 0.0 108.821 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 42' ' ' LEU . 46.8 mm -109.31 104.42 17.05 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.965 -178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -120.52 131.88 24.31 Favored Pre-proline 0 C--N 1.295 -1.793 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 175.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -80.24 164.84 21.66 Favored 'Trans proline' 0 N--CA 1.404 -3.776 0 C-N-CA 120.989 1.126 . . . . 0.0 109.45 -176.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.417 HG23 ' HA ' ' B' ' 33' ' ' VAL . 36.6 t -92.52 112.38 25.89 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.06 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -88.23 134.45 33.79 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.629 -172.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -83.2 97.41 8.83 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.542 -172.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 C--N 1.271 -2.807 0 CA-C-N 113.383 -1.735 . . . . 0.0 106.866 176.884 . . . . . . . . 0 0 . 1 stop_ save_